3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide

C21H23FN6O2 — CID 156770540

IUPAC3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cc2n(n1)CCN(C(=O)c1cc3ccccc3[nH]1)C2)C1CCNCC1F
InChIInChI=1S/C21H23FN6O2/c22-16-11-23-6-5-15(16)20(29)25-19-10-14-12-27(7-8-28(14)26-19)21(30)18-9-13-3-1-2-4-17(13)24-18/h1-4,9-10,15-16,23-24H,5-8,11-12H2,(H,25,26,29)
InChIKeyUXLSIEYFGHNVFX-UHFFFAOYSA-N
MW410.45 g/mol
LogP1.91
Rot. Bonds3

About 3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide

3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 156770540) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID156770540
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cc2n(n1)CCN(C(=O)c1cc3ccccc3[nH]1)C2)C1CCNCC1F
InChIInChI=1S/C21H23FN6O2/c22-16-11-23-6-5-15(16)20(29)25-19-10-14-12-27(7-8-28(14)26-19)21(30)18-9-13-3-1-2-4-17(13)24-18/h1-4,9-10,15-16,23-24H,5-8,11-12H2,(H,25,26,29)
InChIKeyUXLSIEYFGHNVFX-UHFFFAOYSA-N
XLogP1.91
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-hydroxycyclohexyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
CID 156903120
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide
CID 156770531
1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156770528
1H-indol-2-yl-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156770486
[2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
CID 156770527
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl(1H-indol-2-yl)methanone
CID 167813037
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525454
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119314153
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]azetidine-3-carboxamide
CID 154637669
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 164702728
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide (CID 156770540) is 3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide is O=C(Nc1cc2n(n1)CCN(C(=O)c1cc3ccccc3[nH]1)C2)C1CCNCC1F.
What is the InChIKey of 3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is UXLSIEYFGHNVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c22-16-11-23-6-5-15(16)20(29)25-19-10-14-12-27(7-8-28(14)26-19)21(30)18-9-13-3-1-2-4-17(13)24-18/h1-4,9-10,15-16,23-24H,5-8,11-12H2,(H,25,26,29).
What are the key properties of 3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide?
3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 156770540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).