N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide

C25H31N7O3S — CID 75202037

IUPACN-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2cnc(Nc3ccc4ncsc4n3)cc2NC2CCOCC2)CC1
InChIInChI=1S/C25H31N7O3S/c1-26-23(33)15-2-4-16(5-3-15)30-24(34)18-13-27-22(12-20(18)29-17-8-10-35-11-9-17)31-21-7-6-19-25(32-21)36-14-28-19/h6-7,12-17H,2-5,8-11H2,1H3,(H,26,33)(H,30,34)(H2,27,29,31,32)
InChIKeyGAWHABBIPARPDM-UHFFFAOYSA-N
MW509.64 g/mol
LogP3.46
Rot. Bonds7

About N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide

N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide (PubChem CID 75202037) has the molecular formula C25H31N7O3S and a molecular weight of 509.64 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide
PubChem CID75202037
Molecular FormulaC25H31N7O3S
Molecular Weight509.64 g/mol
Exact Mass509.22
IUPAC NameN-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2cnc(Nc3ccc4ncsc4n3)cc2NC2CCOCC2)CC1
InChIInChI=1S/C25H31N7O3S/c1-26-23(33)15-2-4-16(5-3-15)30-24(34)18-13-27-22(12-20(18)29-17-8-10-35-11-9-17)31-21-7-6-19-25(32-21)36-14-28-19/h6-7,12-17H,2-5,8-11H2,1H3,(H,26,33)(H,30,34)(H2,27,29,31,32)
InChIKeyGAWHABBIPARPDM-UHFFFAOYSA-N
XLogP3.46
TPSA130.16 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.64
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide 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 N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide (CID 75202037) is N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide is CNC(=O)C1CCC(NC(=O)c2cnc(Nc3ccc4ncsc4n3)cc2NC2CCOCC2)CC1.
What is the InChIKey of N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide?
The InChIKey is GAWHABBIPARPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3S/c1-26-23(33)15-2-4-16(5-3-15)30-24(34)18-13-27-22(12-20(18)29-17-8-10-35-11-9-17)31-21-7-6-19-25(32-21)36-14-28-19/h6-7,12-17H,2-5,8-11H2,1H3,(H,26,33)(H,30,34)(H2,27,29,31,32).
What are the key properties of N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide?
N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide has a molecular weight of 509.64 g/mol, XLogP of 3.46, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)-6-([1,3]thiazolo[5,4-b]pyridin-5-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 75202037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).