[2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone

C20H27N5O2 — CID 163632437

IUPAC[2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN2NC(NCC3(O)CCC3)CC2C1
InChIInChI=1S/C20H27N5O2/c26-19(17-10-14-4-1-2-5-16(14)22-17)24-8-9-25-15(12-24)11-18(23-25)21-13-20(27)6-3-7-20/h1-2,4-5,10,15,18,21-23,27H,3,6-9,11-13H2
InChIKeyHXHIEBKEOPUBNU-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.03
Rot. Bonds4

About [2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone

[2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone (PubChem CID 163632437) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
PubChem CID163632437
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN2NC(NCC3(O)CCC3)CC2C1
InChIInChI=1S/C20H27N5O2/c26-19(17-10-14-4-1-2-5-16(14)22-17)24-8-9-25-15(12-24)11-18(23-25)21-13-20(27)6-3-7-20/h1-2,4-5,10,15,18,21-23,27H,3,6-9,11-13H2
InChIKeyHXHIEBKEOPUBNU-UHFFFAOYSA-N
XLogP1.03
TPSA83.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone with MolForge

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Related Compounds

[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95718598
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
(2-ethylthiomorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 115661623
(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 41129779
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
N-[1-[[(4S)-4-hydroxy-1-(1H-indole-2-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125008294
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865

Frequently Asked Questions

What is the IUPAC name of [2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone (CID 163632437) is [2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN2NC(NCC3(O)CCC3)CC2C1.
What is the InChIKey of [2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone?
The InChIKey is HXHIEBKEOPUBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-19(17-10-14-4-1-2-5-16(14)22-17)24-8-9-25-15(12-24)11-18(23-25)21-13-20(27)6-3-7-20/h1-2,4-5,10,15,18,21-23,27H,3,6-9,11-13H2.
What are the key properties of [2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone?
[2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-hydroxycyclobutyl)methylamino]-2,3,3a,4,6,7-hexahydro-1H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 163632437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).