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

C20H23FN6O2 — CID 71657549

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide
SMILESO=C1NCCn2nc(NC(=O)N3CCC(N4CCc5ccc(F)cc54)CC3)cc21
InChIInChI=1S/C20H23FN6O2/c21-14-2-1-13-3-9-26(16(13)11-14)15-4-7-25(8-5-15)20(29)23-18-12-17-19(28)22-6-10-27(17)24-18/h1-2,11-12,15H,3-10H2,(H,22,28)(H,23,24,29)
InChIKeyRJNFVDPBBUNVSC-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.82
Rot. Bonds2

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

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide (PubChem CID 71657549) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide
PubChem CID71657549
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide
SMILESO=C1NCCn2nc(NC(=O)N3CCC(N4CCc5ccc(F)cc54)CC3)cc21
InChIInChI=1S/C20H23FN6O2/c21-14-2-1-13-3-9-26(16(13)11-14)15-4-7-25(8-5-15)20(29)23-18-12-17-19(28)22-6-10-27(17)24-18/h1-2,11-12,15H,3-10H2,(H,22,28)(H,23,24,29)
InChIKeyRJNFVDPBBUNVSC-UHFFFAOYSA-N
XLogP1.82
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide (CID 71657549) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide is O=C1NCCn2nc(NC(=O)N3CCC(N4CCc5ccc(F)cc54)CC3)cc21.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide?
The InChIKey is RJNFVDPBBUNVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c21-14-2-1-13-3-9-26(16(13)11-14)15-4-7-25(8-5-15)20(29)23-18-12-17-19(28)22-6-10-27(17)24-18/h1-2,11-12,15H,3-10H2,(H,22,28)(H,23,24,29).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide?
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71657549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).