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

C22H24FN5O — CID 125127509

IUPAC(3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1
InChIInChI=1S/C22H24FN5O/c23-17-8-2-4-10-19(17)25-22(29)15-6-5-12-27(14-15)21-20-16-7-1-3-9-18(16)26-28(20)13-11-24-21/h2,4,8,10-11,13,15H,1,3,5-7,9,12,14H2,(H,25,29)/t15-/m0/s1
InChIKeyNMSFHDAVKYTJDD-HNNXBMFYSA-N
MW393.47 g/mol
LogP3.60
Rot. Bonds3

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

(3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide (PubChem CID 125127509) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is (3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
PubChem CID125127509
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name(3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1
InChIInChI=1S/C22H24FN5O/c23-17-8-2-4-10-19(17)25-22(29)15-6-5-12-27(14-15)21-20-16-7-1-3-9-18(16)26-28(20)13-11-24-21/h2,4,8,10-11,13,15H,1,3,5-7,9,12,14H2,(H,25,29)/t15-/m0/s1
InChIKeyNMSFHDAVKYTJDD-HNNXBMFYSA-N
XLogP3.60
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.60
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-[(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
(3R)-N-(cyclopropylmethyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127085
(3S)-N-[(2,4-difluorophenyl)methyl]-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127465
(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-[(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
(3R)-N-(2-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39352897
N-(2-fluorophenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070656
[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-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide (CID 125127509) is (3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide is O=C(Nc1ccccc1F)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1.
What is the InChIKey of (3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
The InChIKey is NMSFHDAVKYTJDD-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24FN5O/c23-17-8-2-4-10-19(17)25-22(29)15-6-5-12-27(14-15)21-20-16-7-1-3-9-18(16)26-28(20)13-11-24-21/h2,4,8,10-11,13,15H,1,3,5-7,9,12,14H2,(H,25,29)/t15-/m0/s1.
What are the key properties of (3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide?
(3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-fluorophenyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 125127509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).