3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile

C120H93Cl7F3N25 — CID 91807036

About 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile

3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile (PubChem CID 91807036) has the molecular formula C120H93Cl7F3N25 and a molecular weight of 2190.40 g/mol. Its IUPAC name is 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile
• PubChem CID: 91807036
• Molecular Formula: C120H93Cl7F3N25
• Molecular Weight: 2190.40 g/mol
• Exact Mass: 2185.58
• IUPAC Name: 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile
• SMILES: Cc1ccc(Nc2c(N)ncc(-c3c(C)c(-c4ccccn4)nc(N(C)C)c3N(C)C)c2-c2c(F)ncc(C)c2-c2cnc(F)c(C)c2-c2c(Cl)ncc(C)c2-c2cnc(Cl)c(C)c2-c2c(-c3ncc(Cl)c(-c4c(-c5nccc(-c6c(-c7c(-c8c(C)ncc(C)c8-c8cnc(C)c(C)c8-c8nc(-c9ccnc(C)c9)c(-c9ccncc9C)cc8-c8cc(C)ncc8C)ccnc7F)ccnc6Cl)c5Cl)ccnc4C#N)c3Cl)cc(C)nc2Cl)nc1
• InChI: InChI=1S/C120H93Cl7F3N25/c1-54-23-24-86(143-43-54)151-110-98(82(52-149-119(110)132)93-64(11)105(84-22-20-21-31-135-84)153-120(155(18)19)111(93)154(16)17)102-89(59(6)48-147-118(102)130)80-51-148-116(128)66(13)91(80)101-88(58(5)47-145-114(101)126)79-50-146-112(124)65(12)90(79)99-78(40-62(9)150-115(99)127)109-104(123)100(83(121)53-144-109)97-74(30-34-136-85(97)42-131)108-103(122)73(29-35-137-108)95-72(27-36-138-113(95)125)96-71(28-37-139-117(96)129)94-68(15)141-46-57(4)87(94)81-49-142-67(14)63(10)92(81)107-77(75-39-61(8)140-45-56(75)3)41-76(70-26-32-133-44-55(70)2)106(152-107)69-25-33-134-60(7)38-69/h20-41,43-53H,1-19H3,(H2,132,149)(H,143,151)
• InChIKey: WQBFRZDNWNULEK-UHFFFAOYSA-N
• XLogP: 30.54
• TPSA: 326.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2190.40
LogP ≤ 5	30.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile?

The IUPAC name of 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile (CID 91807036) is 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile.

What is the SMILES notation for 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile?

The canonical SMILES for 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile is Cc1ccc(Nc2c(N)ncc(-c3c(C)c(-c4ccccn4)nc(N(C)C)c3N(C)C)c2-c2c(F)ncc(C)c2-c2cnc(F)c(C)c2-c2c(Cl)ncc(C)c2-c2cnc(Cl)c(C)c2-c2c(-c3ncc(Cl)c(-c4c(-c5nccc(-c6c(-c7c(-c8c(C)ncc(C)c8-c8cnc(C)c(C)c8-c8nc(-c9ccnc(C)c9)c(-c9ccncc9C)cc8-c8cc(C)ncc8C)ccnc7F)ccnc6Cl)c5Cl)ccnc4C#N)c3Cl)cc(C)nc2Cl)nc1.

What is the InChIKey of 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile?

The InChIKey is WQBFRZDNWNULEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H93Cl7F3N25/c1-54-23-24-86(143-43-54)151-110-98(82(52-149-119(110)132)93-64(11)105(84-22-20-21-31-135-84)153-120(155(18)19)111(93)154(16)17)102-89(59(6)48-147-118(102)130)80-51-148-116(128)66(13)91(80)101-88(58(5)47-145-114(101)126)79-50-146-112(124)65(12)90(79)99-78(40-62(9)150-115(99)127)109-104(123)100(83(121)53-144-109)97-74(30-34-136-85(97)42-131)108-103(122)73(29-35-137-108)95-72(27-36-138-113(95)125)96-71(28-37-139-117(96)129)94-68(15)141-46-57(4)87(94)81-49-142-67(14)63(10)92(81)107-77(75-39-61(8)140-45-56(75)3)41-76(70-26-32-133-44-55(70)2)106(152-107)69-25-33-134-60(7)38-69/h20-41,43-53H,1-19H3,(H2,132,149)(H,143,151).

What are the key properties of 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile?

3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 2190.40 g/mol, XLogP of 30.54, 22 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-[5-[3-[5-[3-[2-amino-5-[2,3-bis(dimethylamino)-5-methyl-6-pyridin-2-yl-4-pyridinyl]-3-[(5-methyl-2-pyridinyl)amino]-4-pyridinyl]-2-fluoro-5-methyl-4-pyridinyl]-2-fluoro-3-methyl-4-pyridinyl]-2-chloro-5-methyl-4-pyridinyl]-2-chloro-3-methyl-4-pyridinyl]-2-chloro-6-methyl-4-pyridinyl]-3,5-dichloro-4-pyridinyl]-4-[3-chloro-4-[2-chloro-4-[4-[4-[4-[3-(2,5-dimethyl-4-pyridinyl)-6-(2-methyl-4-pyridinyl)-5-(3-methyl-4-pyridinyl)-2-pyridinyl]-5,6-dimethyl-3-pyridinyl]-2,5-dimethyl-3-pyridinyl]-2-fluoro-3-pyridinyl]-3-pyridinyl]-2-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 91807036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).