1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C21H25N5O2 — CID 156770528

IUPAC1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCn2nc(NCC3CCOCC3)cc2C1
InChIInChI=1S/C21H25N5O2/c27-21(19-11-16-3-1-2-4-18(16)23-19)25-7-8-26-17(14-25)12-20(24-26)22-13-15-5-9-28-10-6-15/h1-4,11-12,15,23H,5-10,13-14H2,(H,22,24)
InChIKeyYHQQQRDETKCZPZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.86
Rot. Bonds4

About 1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 156770528) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID156770528
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCn2nc(NCC3CCOCC3)cc2C1
InChIInChI=1S/C21H25N5O2/c27-21(19-11-16-3-1-2-4-18(16)23-19)25-7-8-26-17(14-25)12-20(24-26)22-13-15-5-9-28-10-6-15/h1-4,11-12,15,23H,5-10,13-14H2,(H,22,24)
InChIKeyYHQQQRDETKCZPZ-UHFFFAOYSA-N
XLogP2.86
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
[2-[(4-hydroxycyclohexyl)amino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(1H-indol-2-yl)methanone
CID 156903120
[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
3-fluoro-N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]piperidine-4-carboxamide
CID 156770540
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
1H-indol-2-yl-[2-(oxan-4-ylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576241
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
5-(1H-indole-2-carbonyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693001
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl(1H-indol-2-yl)methanone
CID 167813037

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 156770528) is 1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCn2nc(NCC3CCOCC3)cc2C1.
What is the InChIKey of 1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is YHQQQRDETKCZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-21(19-11-16-3-1-2-4-18(16)23-19)25-7-8-26-17(14-25)12-20(24-26)22-13-15-5-9-28-10-6-15/h1-4,11-12,15,23H,5-10,13-14H2,(H,22,24).
What are the key properties of 1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[2-(oxan-4-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 156770528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).