1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C17H22N4O — CID 56820474

IUPAC1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCCC1CN1CCCC1
InChIInChI=1S/C17H22N4O/c22-17(16-14-7-1-2-8-15(14)18-19-16)21-11-5-6-13(21)12-20-9-3-4-10-20/h1-2,7-8,13H,3-6,9-12H2,(H,18,19)
InChIKeyMYKWQRHQRLCSLM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.26
Rot. Bonds3

About 1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 56820474) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID56820474
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCCC1CN1CCCC1
InChIInChI=1S/C17H22N4O/c22-17(16-14-7-1-2-8-15(14)18-19-16)21-11-5-6-13(21)12-20-9-3-4-10-20/h1-2,7-8,13H,3-6,9-12H2,(H,18,19)
InChIKeyMYKWQRHQRLCSLM-UHFFFAOYSA-N
XLogP2.26
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 49049226
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
CID 155505567
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 25348089
1-(1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60966842
1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 42946266
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
1H-indazol-3-yl-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 77079275
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 115963335
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 56820474) is 1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CCCC1CN1CCCC1.
What is the InChIKey of 1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MYKWQRHQRLCSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(16-14-7-1-2-8-15(14)18-19-16)21-11-5-6-13(21)12-20-9-3-4-10-20/h1-2,7-8,13H,3-6,9-12H2,(H,18,19).
What are the key properties of 1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56820474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).