N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide

C61H73Cl2F3N10O8 — CID 87729306

IUPACN-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CNC(=O)C(C)(C)N)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl.CCn1cc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)nc1C(C)NC(=O)NC
InChIInChI=1S/C32H38ClN5O4.C29H35ClF3N5O4/c1-19(2)42-28-13-12-23(16-26(28)33)30(40)36-24(17-35-31(41)32(4,5)34)15-21-8-10-22(11-9-21)27-18-38-14-6-7-25(20(3)39)29(38)37-27;1-5-38-16-24(37-26(38)17(2)35-28(41)34-4)20-8-6-19(7-9-20)14-22(12-13-39)36-27(40)21-10-11-25(23(30)15-21)42-18(3)29(31,32)33/h6-14,16,18-20,24,39H,15,17,34H2,1-5H3,(H,35,41)(H,36,40);6-11,15-18,22,39H,5,12-14H2,1-4H3,(H,36,40)(H2,34,35,41)
InChIKeyWSTZWYDBQRNWHU-UHFFFAOYSA-N
MW1202.22 g/mol
LogP9.96
Rot. Bonds23

About N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide

N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 87729306) has the molecular formula C61H73Cl2F3N10O8 and a molecular weight of 1202.22 g/mol. Its IUPAC name is N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound NameN-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID87729306
Molecular FormulaC61H73Cl2F3N10O8
Molecular Weight1202.22 g/mol
Exact Mass1200.49
IUPAC NameN-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CNC(=O)C(C)(C)N)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl.CCn1cc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)nc1C(C)NC(=O)NC
InChIInChI=1S/C32H38ClN5O4.C29H35ClF3N5O4/c1-19(2)42-28-13-12-23(16-26(28)33)30(40)36-24(17-35-31(41)32(4,5)34)15-21-8-10-22(11-9-21)27-18-38-14-6-7-25(20(3)39)29(38)37-27;1-5-38-16-24(37-26(38)17(2)35-28(41)34-4)20-8-6-19(7-9-20)14-22(12-13-39)36-27(40)21-10-11-25(23(30)15-21)42-18(3)29(31,32)33/h6-14,16,18-20,24,39H,15,17,34H2,1-5H3,(H,35,41)(H,36,40);6-11,15-18,22,39H,5,12-14H2,1-4H3,(H,36,40)(H2,34,35,41)
InChIKeyWSTZWYDBQRNWHU-UHFFFAOYSA-N
XLogP9.96
TPSA248.49 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001202.22
LogP ≤ 59.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 87729306) is N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide is CC(C)Oc1ccc(C(=O)NC(CNC(=O)C(C)(C)N)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl.CCn1cc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(Cl)c3)cc2)nc1C(C)NC(=O)NC.
What is the InChIKey of N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is WSTZWYDBQRNWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN5O4.C29H35ClF3N5O4/c1-19(2)42-28-13-12-23(16-26(28)33)30(40)36-24(17-35-31(41)32(4,5)34)15-21-8-10-22(11-9-21)27-18-38-14-6-7-25(20(3)39)29(38)37-27;1-5-38-16-24(37-26(38)17(2)35-28(41)34-4)20-8-6-19(7-9-20)14-22(12-13-39)36-27(40)21-10-11-25(23(30)15-21)42-18(3)29(31,32)33/h6-14,16,18-20,24,39H,15,17,34H2,1-5H3,(H,35,41)(H,36,40);6-11,15-18,22,39H,5,12-14H2,1-4H3,(H,36,40)(H2,34,35,41).
What are the key properties of N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 1202.22 g/mol, XLogP of 9.96, 23 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[4-[1-ethyl-2-[1-(methylcarbamoylamino)ethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 87729306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).