2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

C26H22FN7OS — CID 52932503

IUPAC2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1NCc1ccc(-c2cc3c(N)ncnc3cn2)s1)c1ccc(F)cc1
InChIInChI=1S/C26H22FN7OS/c1-15(16-4-6-17(27)7-5-16)34-26(35)19-3-2-10-29-25(19)31-12-18-8-9-23(36-18)21-11-20-22(13-30-21)32-14-33-24(20)28/h2-11,13-15H,12H2,1H3,(H,29,31)(H,34,35)(H2,28,32,33)/t15-/m0/s1
InChIKeyIAJAWGPKXREZIL-HNNXBMFYSA-N
MW499.58 g/mol
LogP4.97
Rot. Bonds7

About 2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 52932503) has the molecular formula C26H22FN7OS and a molecular weight of 499.58 g/mol. Its IUPAC name is 2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID52932503
Molecular FormulaC26H22FN7OS
Molecular Weight499.58 g/mol
Exact Mass499.16
IUPAC Name2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1NCc1ccc(-c2cc3c(N)ncnc3cn2)s1)c1ccc(F)cc1
InChIInChI=1S/C26H22FN7OS/c1-15(16-4-6-17(27)7-5-16)34-26(35)19-3-2-10-29-25(19)31-12-18-8-9-23(36-18)21-11-20-22(13-30-21)32-14-33-24(20)28/h2-11,13-15H,12H2,1H3,(H,29,31)(H,34,35)(H2,28,32,33)/t15-/m0/s1
InChIKeyIAJAWGPKXREZIL-HNNXBMFYSA-N
XLogP4.97
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]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 2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 52932503) is 2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cccnc1NCc1ccc(-c2cc3c(N)ncnc3cn2)s1)c1ccc(F)cc1.
What is the InChIKey of 2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is IAJAWGPKXREZIL-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H22FN7OS/c1-15(16-4-6-17(27)7-5-16)34-26(35)19-3-2-10-29-25(19)31-12-18-8-9-23(36-18)21-11-20-22(13-30-21)32-14-33-24(20)28/h2-11,13-15H,12H2,1H3,(H,29,31)(H,34,35)(H2,28,32,33)/t15-/m0/s1.
What are the key properties of 2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 4.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 52932503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).