(3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide

C25H29N5O — CID 125129193

IUPAC(3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1
InChIInChI=1S/C25H29N5O/c31-25(27-21-12-11-17-6-1-2-8-19(17)21)18-7-5-14-29(16-18)24-23-20-9-3-4-10-22(20)28-30(23)15-13-26-24/h1-2,6,8,13,15,18,21H,3-5,7,9-12,14,16H2,(H,27,31)/t18-,21+/m0/s1
InChIKeyZZMSFCBNQJHBQE-GHTZIAJQSA-N
MW415.54 g/mol
LogP3.63
Rot. Bonds3

About (3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide

(3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide (PubChem CID 125129193) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is (3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
PubChem CID125129193
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name(3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1
InChIInChI=1S/C25H29N5O/c31-25(27-21-12-11-17-6-1-2-8-19(17)21)18-7-5-14-29(16-18)24-23-20-9-3-4-10-22(20)28-30(23)15-13-26-24/h1-2,6,8,13,15,18,21H,3-5,7,9-12,14,16H2,(H,27,31)/t18-,21+/m0/s1
InChIKeyZZMSFCBNQJHBQE-GHTZIAJQSA-N
XLogP3.63
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 91890404
(3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127509
(3R)-N-(cyclopropylmethyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127085
(3R)-N-propyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127332
1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 91890436
(3R)-N-butyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125128650
(3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127465
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127002
N-[(3-ethoxyphenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 91890429
(4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
CID 91890367
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
[4-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
CID 91890368

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide (CID 125129193) is (3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide is O=C(N[C@@H]1CCc2ccccc21)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1.
What is the InChIKey of (3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The InChIKey is ZZMSFCBNQJHBQE-GHTZIAJQSA-N. The full InChI is InChI=1S/C25H29N5O/c31-25(27-21-12-11-17-6-1-2-8-19(17)21)18-7-5-14-29(16-18)24-23-20-9-3-4-10-22(20)28-30(23)15-13-26-24/h1-2,6,8,13,15,18,21H,3-5,7,9-12,14,16H2,(H,27,31)/t18-,21+/m0/s1.
What are the key properties of (3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
(3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 125129193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).