6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine

C30H26FN5OS — CID 145254246

IUPAC6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine
SMILESFc1ccc(-c2cncc3[nH]c(C4=CCNc5ccc(-c6cncc(OC7CCCCC7)c6)nc54)cc23)s1
InChIInChI=1S/C30H26FN5OS/c31-29-9-8-28(38-29)23-16-33-17-27-22(23)13-26(35-27)21-10-11-34-25-7-6-24(36-30(21)25)18-12-20(15-32-14-18)37-19-4-2-1-3-5-19/h6-10,12-17,19,34-35H,1-5,11H2
InChIKeyQMJYXMULLJBHHS-UHFFFAOYSA-N
MW523.64 g/mol
LogP7.46
Rot. Bonds5

About 6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine

6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine (PubChem CID 145254246) has the molecular formula C30H26FN5OS and a molecular weight of 523.64 g/mol. Its IUPAC name is 6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine.

Molecular Properties

Compound Name6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine
PubChem CID145254246
Molecular FormulaC30H26FN5OS
Molecular Weight523.64 g/mol
Exact Mass523.18
IUPAC Name6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine
SMILESFc1ccc(-c2cncc3[nH]c(C4=CCNc5ccc(-c6cncc(OC7CCCCC7)c6)nc54)cc23)s1
InChIInChI=1S/C30H26FN5OS/c31-29-9-8-28(38-29)23-16-33-17-27-22(23)13-26(35-27)21-10-11-34-25-7-6-24(36-30(21)25)18-12-20(15-32-14-18)37-19-4-2-1-3-5-19/h6-10,12-17,19,34-35H,1-5,11H2
InChIKeyQMJYXMULLJBHHS-UHFFFAOYSA-N
XLogP7.46
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine with MolForge

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Related Compounds

(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
3-[(2S)-2-amino-3-[(5-{thieno[2,3-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 10216158
3-[(2S)-2-amino-3-({5-[(E)-2-[2-(benzylsulfanyl)pyridin-4-yl]ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 23646990
3-[(2S)-2-amino-3-({5-[(E)-2-[2-(phenylsulfanyl)pyridin-4-yl]ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 23646989
3-[(2S)-2-amino-3-[(5-{thieno[3,2-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647539
N-[(2S)-1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-yl]thieno[2,3-c]pyridin-2-amine
CID 44412808
N-[(2S)-1-(1H-indol-3-yl)-3-[(5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-yl]thieno[3,2-c]pyridin-2-amine
CID 44412822
1-(1H-indol-3-yl)-3-[(5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
CID 49830599
1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
CID 22607792
1'-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-4-(thiophen-3-ylmethyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine];2,2,2-trifluoroacetic acid
CID 44525600
1-[(3S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)methanamine;hydrochloride
CID 44529080
(1R,5S)-8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-N-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 44529071

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine?
The IUPAC name of 6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine (CID 145254246) is 6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine.
What is the SMILES notation for 6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine?
The canonical SMILES for 6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine is Fc1ccc(-c2cncc3[nH]c(C4=CCNc5ccc(-c6cncc(OC7CCCCC7)c6)nc54)cc23)s1.
What is the InChIKey of 6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine?
The InChIKey is QMJYXMULLJBHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5OS/c31-29-9-8-28(38-29)23-16-33-17-27-22(23)13-26(35-27)21-10-11-34-25-7-6-24(36-30(21)25)18-12-20(15-32-14-18)37-19-4-2-1-3-5-19/h6-10,12-17,19,34-35H,1-5,11H2.
What are the key properties of 6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine?
6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine has a molecular weight of 523.64 g/mol, XLogP of 7.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclohexyloxy-3-pyridinyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-dihydro-1,5-naphthyridine is sourced from PubChem (CID 145254246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).