4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile

C29H23F2N9O — CID 50906991

IUPAC4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(-c2ncnc(N)c2C#N)cnc1N1CCOCC1
InChIInChI=1S/C29H23F2N9O/c1-16-25(21-4-2-3-5-34-21)38-22-12-18(30)11-20(31)24(22)26(16)39-23-10-17(27-19(13-32)28(33)37-15-36-27)14-35-29(23)40-6-8-41-9-7-40/h2-5,10-12,14-15H,6-9H2,1H3,(H,38,39)(H2,33,36,37)
InChIKeyFAGMNEVCHYMOIA-UHFFFAOYSA-N
MW551.56 g/mol
LogP4.77
Rot. Bonds5

About 4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile

4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile (PubChem CID 50906991) has the molecular formula C29H23F2N9O and a molecular weight of 551.56 g/mol. Its IUPAC name is 4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile
PubChem CID50906991
Molecular FormulaC29H23F2N9O
Molecular Weight551.56 g/mol
Exact Mass551.20
IUPAC Name4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(-c2ncnc(N)c2C#N)cnc1N1CCOCC1
InChIInChI=1S/C29H23F2N9O/c1-16-25(21-4-2-3-5-34-21)38-22-12-18(30)11-20(31)24(22)26(16)39-23-10-17(27-19(13-32)28(33)37-15-36-27)14-35-29(23)40-6-8-41-9-7-40/h2-5,10-12,14-15H,6-9H2,1H3,(H,38,39)(H2,33,36,37)
InChIKeyFAGMNEVCHYMOIA-UHFFFAOYSA-N
XLogP4.77
TPSA138.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.56
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile (CID 50906991) is 4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(-c2ncnc(N)c2C#N)cnc1N1CCOCC1.
What is the InChIKey of 4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile?
The InChIKey is FAGMNEVCHYMOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N9O/c1-16-25(21-4-2-3-5-34-21)38-22-12-18(30)11-20(31)24(22)26(16)39-23-10-17(27-19(13-32)28(33)37-15-36-27)14-35-29(23)40-6-8-41-9-7-40/h2-5,10-12,14-15H,6-9H2,1H3,(H,38,39)(H2,33,36,37).
What are the key properties of 4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile?
4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile has a molecular weight of 551.56 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 50906991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).