[2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone

C20H25N5O2 — CID 156770527

IUPAC[2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
SMILESCC(C)(CO)CNc1cc2n(n1)CCN(C(=O)c1cc3ccccc3[nH]1)C2
InChIInChI=1S/C20H25N5O2/c1-20(2,13-26)12-21-18-10-15-11-24(7-8-25(15)23-18)19(27)17-9-14-5-3-4-6-16(14)22-17/h3-6,9-10,22,26H,7-8,11-13H2,1-2H3,(H,21,23)
InChIKeyXUALULCZUNAONA-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.45
Rot. Bonds5

About [2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone

[2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone (PubChem CID 156770527) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
PubChem CID156770527
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
SMILESCC(C)(CO)CNc1cc2n(n1)CCN(C(=O)c1cc3ccccc3[nH]1)C2
InChIInChI=1S/C20H25N5O2/c1-20(2,13-26)12-21-18-10-15-11-24(7-8-25(15)23-18)19(27)17-9-14-5-3-4-6-16(14)22-17/h3-6,9-10,22,26H,7-8,11-13H2,1-2H3,(H,21,23)
InChIKeyXUALULCZUNAONA-UHFFFAOYSA-N
XLogP2.45
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156770528
[2-[(4-hydroxycyclohexyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
CID 156903120
1H-indol-2-yl-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156770486
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]oxane-4-sulfonamide
CID 156770531
3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide
CID 156770540
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl(1H-indol-2-yl)methanone
CID 167813037
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255167
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693001
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624

Frequently Asked Questions

What is the IUPAC name of [2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [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) is [2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone is CC(C)(CO)CNc1cc2n(n1)CCN(C(=O)c1cc3ccccc3[nH]1)C2.
What is the InChIKey of [2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone?
The InChIKey is XUALULCZUNAONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-20(2,13-26)12-21-18-10-15-11-24(7-8-25(15)23-18)19(27)17-9-14-5-3-4-6-16(14)22-17/h3-6,9-10,22,26H,7-8,11-13H2,1-2H3,(H,21,23).
What are the key properties of [2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone?
[2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-hydroxy-2,2-dimethylpropyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 156770527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).