N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide

C23H20ClF2N7O — CID 130303774

IUPACN-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](Nc2nc(-c3c[nH]c4c(F)cc(Cl)cc34)ncc2F)C1)c1cnccn1
InChIInChI=1S/C23H20ClF2N7O/c24-12-6-15-16(9-29-20(15)17(25)7-12)21-30-10-18(26)22(33-21)31-13-2-1-3-14(8-13)32-23(34)19-11-27-4-5-28-19/h4-7,9-11,13-14,29H,1-3,8H2,(H,32,34)(H,30,31,33)/t13-,14+/m0/s1
InChIKeyAOTYCWSODVNTOH-UONOGXRCSA-N
MW483.91 g/mol
LogP4.50
Rot. Bonds5

About N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide

N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide (PubChem CID 130303774) has the molecular formula C23H20ClF2N7O and a molecular weight of 483.91 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide
PubChem CID130303774
Molecular FormulaC23H20ClF2N7O
Molecular Weight483.91 g/mol
Exact Mass483.14
IUPAC NameN-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H](Nc2nc(-c3c[nH]c4c(F)cc(Cl)cc34)ncc2F)C1)c1cnccn1
InChIInChI=1S/C23H20ClF2N7O/c24-12-6-15-16(9-29-20(15)17(25)7-12)21-30-10-18(26)22(33-21)31-13-2-1-3-14(8-13)32-23(34)19-11-27-4-5-28-19/h4-7,9-11,13-14,29H,1-3,8H2,(H,32,34)(H,30,31,33)/t13-,14+/m0/s1
InChIKeyAOTYCWSODVNTOH-UONOGXRCSA-N
XLogP4.50
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.91
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Mevociclib
CID 118426108
2-((4,6-Dimethylpyridin-2-yl)amino)-N-(2-(2-methyl-1H-indol-3-yl)ethyl)pyrimidine-5-carboxamide
CID 145996528
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235232
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 164625441
1-[3-(3-chloro-5-fluorophenyl)-5-(6-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164627529
1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-indol-2-ylmethyl)-piperazin-2-one
CID 44383519
2-((R)-3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)piperidin-1-yl)-N-methylacetamide
CID 44440224
1-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)piperidin-1-yl)-2-(methylamino)ethanone
CID 44440228
N-[3-(6-chloro-3-pyridinyl)propyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766724
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]benzamide
CID 73330891
N-(4-(4-(7-Chloroquinolin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 73671367
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-(2-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 90299611

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide (CID 130303774) is N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide is O=C(N[C@@H]1CCC[C@H](Nc2nc(-c3c[nH]c4c(F)cc(Cl)cc34)ncc2F)C1)c1cnccn1.
What is the InChIKey of N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide?
The InChIKey is AOTYCWSODVNTOH-UONOGXRCSA-N. The full InChI is InChI=1S/C23H20ClF2N7O/c24-12-6-15-16(9-29-20(15)17(25)7-12)21-30-10-18(26)22(33-21)31-13-2-1-3-14(8-13)32-23(34)19-11-27-4-5-28-19/h4-7,9-11,13-14,29H,1-3,8H2,(H,32,34)(H,30,31,33)/t13-,14+/m0/s1.
What are the key properties of N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide?
N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide has a molecular weight of 483.91 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[[2-(5-chloro-7-fluoro-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 130303774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).