5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C21H22ClN5O3 — CID 156773149

IUPAC5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCN(C(=O)c1cnn2c1CN(C(=O)c1cc3c(Cl)cccc3[nH]1)CC2)C1(CO)CC1
InChIInChI=1S/C21H22ClN5O3/c1-25(21(12-28)5-6-21)19(29)14-10-23-27-8-7-26(11-18(14)27)20(30)17-9-13-15(22)3-2-4-16(13)24-17/h2-4,9-10,24,28H,5-8,11-12H2,1H3
InChIKeyLYHYXAPGUUPYIA-UHFFFAOYSA-N
MW427.89 g/mol
LogP2.27
Rot. Bonds4

About 5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 156773149) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is 5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID156773149
Molecular FormulaC21H22ClN5O3
Molecular Weight427.89 g/mol
Exact Mass427.14
IUPAC Name5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCN(C(=O)c1cnn2c1CN(C(=O)c1cc3c(Cl)cccc3[nH]1)CC2)C1(CO)CC1
InChIInChI=1S/C21H22ClN5O3/c1-25(21(12-28)5-6-21)19(29)14-10-23-27-8-7-26(11-18(14)27)20(30)17-9-13-15(22)3-2-4-16(13)24-17/h2-4,9-10,24,28H,5-8,11-12H2,1H3
InChIKeyLYHYXAPGUUPYIA-UHFFFAOYSA-N
XLogP2.27
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloro-5-fluoro-1H-indole-2-carbonyl)-N-[1-(4-formylphenyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 155259952
4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid
CID 155260063
5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-[1-(4-methylphenyl)cyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 155260056
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106
azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
CID 167907926
3-[1-[[5-(4,5-difluoro-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]methyl-methylamino]cyclopropyl]benzoic acid
CID 155259970
1H-indol-2-yl-[3-(7-oxa-4-azaspiro[2.6]nonane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156773198
(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740995
N-benzyl-7-(4-chloro-1H-indole-2-carbonyl)-2-(4-methoxyphenyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 155302609
5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 166721274
N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576702
N-[5-(4-chloro-1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-methylcyclopropane-1-carboxamide
CID 142576556

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 156773149) is 5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is CN(C(=O)c1cnn2c1CN(C(=O)c1cc3c(Cl)cccc3[nH]1)CC2)C1(CO)CC1.
What is the InChIKey of 5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is LYHYXAPGUUPYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c1-25(21(12-28)5-6-21)19(29)14-10-23-27-8-7-26(11-18(14)27)20(30)17-9-13-15(22)3-2-4-16(13)24-17/h2-4,9-10,24,28H,5-8,11-12H2,1H3.
What are the key properties of 5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1H-indole-2-carbonyl)-N-[1-(hydroxymethyl)cyclopropyl]-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 156773149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).