1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide

C30H35N5O2 — CID 166027449

IUPAC1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide
SMILESCOc1ccc(CN2[C@H]3CC[C@@H]2[C@H](NC(=O)C2CCc4c(cnn4-c4cccc(C5CC5)n4)C2)C3)cc1
InChIInChI=1S/C30H35N5O2/c1-37-24-11-5-19(6-12-24)18-34-23-10-14-28(34)26(16-23)33-30(36)21-9-13-27-22(15-21)17-31-35(27)29-4-2-3-25(32-29)20-7-8-20/h2-6,11-12,17,20-21,23,26,28H,7-10,13-16,18H2,1H3,(H,33,36)/t21?,23-,26+,28+/m0/s1
InChIKeyVESIICSIMGJUSL-JHRUBJCDSA-N
MW497.64 g/mol
LogP4.18
Rot. Bonds7

About 1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide

1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide (PubChem CID 166027449) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide.

Molecular Properties

Compound Name1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide
PubChem CID166027449
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide
SMILESCOc1ccc(CN2[C@H]3CC[C@@H]2[C@H](NC(=O)C2CCc4c(cnn4-c4cccc(C5CC5)n4)C2)C3)cc1
InChIInChI=1S/C30H35N5O2/c1-37-24-11-5-19(6-12-24)18-34-23-10-14-28(34)26(16-23)33-30(36)21-9-13-27-22(15-21)17-31-35(27)29-4-2-3-25(32-29)20-7-8-20/h2-6,11-12,17,20-21,23,26,28H,7-10,13-16,18H2,1H3,(H,33,36)/t21?,23-,26+,28+/m0/s1
InChIKeyVESIICSIMGJUSL-JHRUBJCDSA-N
XLogP4.18
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide with MolForge

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Related Compounds

2-[6-(difluoromethoxy)-2-pyridinyl]-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide
CID 166027401
1-[6-(1,1-difluoroethyl)-2-pyridinyl]-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]indazole-5-carboxamide
CID 166027623
N-[7-[(4-methylphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]acetamide
CID 167707080
2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95838767
1-benzyl-4,5,6,7-tetrahydroindazole-5-carbonyl chloride
CID 164753880
6-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 150500294
(1R,5S)-8-benzyl-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 70099398
1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide
CID 163294861
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
CID 175377648
ethyl (5S)-1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxylate
CID 129354303
2-(2-ethylimidazol-1-yl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine
CID 95838605
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide?
The IUPAC name of 1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide (CID 166027449) is 1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide.
What is the SMILES notation for 1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide?
The canonical SMILES for 1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide is COc1ccc(CN2[C@H]3CC[C@@H]2[C@H](NC(=O)C2CCc4c(cnn4-c4cccc(C5CC5)n4)C2)C3)cc1.
What is the InChIKey of 1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide?
The InChIKey is VESIICSIMGJUSL-JHRUBJCDSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-37-24-11-5-19(6-12-24)18-34-23-10-14-28(34)26(16-23)33-30(36)21-9-13-27-22(15-21)17-31-35(27)29-4-2-3-25(32-29)20-7-8-20/h2-6,11-12,17,20-21,23,26,28H,7-10,13-16,18H2,1H3,(H,33,36)/t21?,23-,26+,28+/m0/s1.
What are the key properties of 1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide?
1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropyl-2-pyridinyl)-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-4,5,6,7-tetrahydroindazole-5-carboxamide is sourced from PubChem (CID 166027449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).