4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide

C16H15Cl2N5O — CID 167962010

IUPAC4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCc1cnn2c1CNCC2)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C16H15Cl2N5O/c17-10-3-12(18)11-5-14(22-13(11)4-10)16(24)20-6-9-7-21-23-2-1-19-8-15(9)23/h3-5,7,19,22H,1-2,6,8H2,(H,20,24)
InChIKeyUDSHUEVLCJLQLP-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.70
Rot. Bonds3

About 4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide

4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 167962010) has the molecular formula C16H15Cl2N5O and a molecular weight of 364.24 g/mol. Its IUPAC name is 4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide
PubChem CID167962010
Molecular FormulaC16H15Cl2N5O
Molecular Weight364.24 g/mol
Exact Mass363.07
IUPAC Name4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCc1cnn2c1CNCC2)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C16H15Cl2N5O/c17-10-3-12(18)11-5-14(22-13(11)4-10)16(24)20-6-9-7-21-23-2-1-19-8-15(9)23/h3-5,7,19,22H,1-2,6,8H2,(H,20,24)
InChIKeyUDSHUEVLCJLQLP-UHFFFAOYSA-N
XLogP2.70
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135453331
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(2-(pyridin-3-yl)-ethyl)-1H-pyrrole-2-carboxamide
CID 135523940
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135529466
4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 164613342
N-[2-(4-chlorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16194125
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 15950750
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 54771359
2-tert-butyl-1'-(3-chloro-1H-indole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967949
2-tert-butyl-1'-(3-chloro-1H-indole-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967950
2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72704106
4,6-dichloro-N-[(1R,2S)-2-methylcyclohexyl]-1H-indole-2-carboxamide
CID 72713743
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone
CID 118879403

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide (CID 167962010) is 4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide is O=C(NCc1cnn2c1CNCC2)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is UDSHUEVLCJLQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O/c17-10-3-12(18)11-5-14(22-13(11)4-10)16(24)20-6-9-7-21-23-2-1-19-8-15(9)23/h3-5,7,19,22H,1-2,6,8H2,(H,20,24).
What are the key properties of 4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide?
4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 167962010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).