6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine

C31H26FN5OS — CID 145248589

IUPAC6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine
SMILESCc1cc(OC2CCCCC2)cc(-c2cnc3ncnc(-c4cc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C31H26FN5OS/c1-18-11-19(13-22(12-18)38-21-5-3-2-4-6-21)20-14-24-29(35-17-36-31(24)34-16-20)26-15-23-25(37-26)9-10-33-30(23)27-7-8-28(32)39-27/h7-17,21,37H,2-6H2,1H3
InChIKeyNFDJHAATPFCNLR-UHFFFAOYSA-N
MW535.65 g/mol
LogP8.12
Rot. Bonds5

About 6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine

6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine (PubChem CID 145248589) has the molecular formula C31H26FN5OS and a molecular weight of 535.65 g/mol. Its IUPAC name is 6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine
PubChem CID145248589
Molecular FormulaC31H26FN5OS
Molecular Weight535.65 g/mol
Exact Mass535.18
IUPAC Name6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine
SMILESCc1cc(OC2CCCCC2)cc(-c2cnc3ncnc(-c4cc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C31H26FN5OS/c1-18-11-19(13-22(12-18)38-21-5-3-2-4-6-21)20-14-24-29(35-17-36-31(24)34-16-20)26-15-23-25(37-26)9-10-33-30(23)27-7-8-28(32)39-27/h7-17,21,37H,2-6H2,1H3
InChIKeyNFDJHAATPFCNLR-UHFFFAOYSA-N
XLogP8.12
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine with MolForge

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Related Compounds

N-(4-propan-2-yloxyphenyl)-2-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 117770402
(S)-5-(2-(9H-Purin-8-yl)propan-2-yl)-9-fluoro-2-(4-(methylsulfonyl)phenyl)-5H-chromeno[2,3-b]pyridine
CID 117910901
2-[5-(3,4-Dimethoxyphenyl)pyrimidin-2-yl]-1-(5-ethylthiophen-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141492948
(2S)-1-N-[7-(5-fluoro-2-propan-2-yloxyphenyl)-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596445
(2S)-1-N-[6-methyl-7-(5-methyl-2-propan-2-yloxyphenyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596449
(2S)-1-N-[7-(5-fluoro-2-methoxyphenyl)-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596594
(2S)-1-N-[6-tert-butyl-7-(3-methoxyphenyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 117672735
6-(2-methoxy-4-pyridyl)-4-[4-[4-methyl-5-(5-methyl-2-thienyl)-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118414025
7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-imidazol-5-yl)-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)thieno[3,2-c]pyridine
CID 176827571
2-[(3-Methoxyphenyl)methyl]-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42341387
2-(Pyridin-2-yl)-4-(3,4-ethylenedioxyphenethylamino)-6-trifluoromethyl-thieno-[2,3-d]-pyrimidine
CID 18460045
5-[6-(2-Fluoro-5-methoxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 25108885

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine (CID 145248589) is 6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine is Cc1cc(OC2CCCCC2)cc(-c2cnc3ncnc(-c4cc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is NFDJHAATPFCNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5OS/c1-18-11-19(13-22(12-18)38-21-5-3-2-4-6-21)20-14-24-29(35-17-36-31(24)34-16-20)26-15-23-25(37-26)9-10-33-30(23)27-7-8-28(32)39-27/h7-17,21,37H,2-6H2,1H3.
What are the key properties of 6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine?
6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 535.65 g/mol, XLogP of 8.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 145248589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).