1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile

C30H29F2N7O — CID 50907187

IUPAC1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCC(C#N)CC2)cnc1N1CCOCC1
InChIInChI=1S/C30H29F2N7O/c1-19-28(24-4-2-3-7-34-24)36-25-15-21(31)14-23(32)27(25)29(19)37-26-16-22(38-8-5-20(17-33)6-9-38)18-35-30(26)39-10-12-40-13-11-39/h2-4,7,14-16,18,20H,5-6,8-13H2,1H3,(H,36,37)
InChIKeySCMKXIIKHPZMRY-UHFFFAOYSA-N
MW541.61 g/mol
LogP5.60
Rot. Bonds5

About 1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile

1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile (PubChem CID 50907187) has the molecular formula C30H29F2N7O and a molecular weight of 541.61 g/mol. Its IUPAC name is 1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile
PubChem CID50907187
Molecular FormulaC30H29F2N7O
Molecular Weight541.61 g/mol
Exact Mass541.24
IUPAC Name1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCC(C#N)CC2)cnc1N1CCOCC1
InChIInChI=1S/C30H29F2N7O/c1-19-28(24-4-2-3-7-34-24)36-25-15-21(31)14-23(32)27(25)29(19)37-26-16-22(38-8-5-20(17-33)6-9-38)18-35-30(26)39-10-12-40-13-11-39/h2-4,7,14-16,18,20H,5-6,8-13H2,1H3,(H,36,37)
InChIKeySCMKXIIKHPZMRY-UHFFFAOYSA-N
XLogP5.60
TPSA90.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.61
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile (CID 50907187) is 1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCC(C#N)CC2)cnc1N1CCOCC1.
What is the InChIKey of 1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile?
The InChIKey is SCMKXIIKHPZMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N7O/c1-19-28(24-4-2-3-7-34-24)36-25-15-21(31)14-23(32)27(25)29(19)37-26-16-22(38-8-5-20(17-33)6-9-38)18-35-30(26)39-10-12-40-13-11-39/h2-4,7,14-16,18,20H,5-6,8-13H2,1H3,(H,36,37).
What are the key properties of 1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile?
1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile has a molecular weight of 541.61 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]piperidine-4-carbonitrile is sourced from PubChem (CID 50907187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).