[1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone

C20H20N6O — CID 97447392

IUPAC[1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(-c2ccc3ccc(-n4ccc(C(=O)N5CCCC5)n4)n3c2)cn1
InChIInChI=1S/C20H20N6O/c1-23-13-16(12-21-23)15-4-5-17-6-7-19(25(17)14-15)26-11-8-18(22-26)20(27)24-9-2-3-10-24/h4-8,11-14H,2-3,9-10H2,1H3
InChIKeyWOORPEMMKUXSBJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.76
Rot. Bonds3

About [1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone

[1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97447392) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is [1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID97447392
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name[1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(-c2ccc3ccc(-n4ccc(C(=O)N5CCCC5)n4)n3c2)cn1
InChIInChI=1S/C20H20N6O/c1-23-13-16(12-21-23)15-4-5-17-6-7-19(25(17)14-15)26-11-8-18(22-26)20(27)24-9-2-3-10-24/h4-8,11-14H,2-3,9-10H2,1H3
InChIKeyWOORPEMMKUXSBJ-UHFFFAOYSA-N
XLogP2.76
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-[1-(6-phenylindolizin-3-yl)pyrazol-3-yl]methanone
CID 97407496
1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 97447388
[1-[6-(4-fluorophenyl)indolizin-3-yl]pyrazol-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97362180
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
[4-(1-methylpyrazol-4-yl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
CID 121498462
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
N-(6-methyl-3-pyridinyl)-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362114
N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362117
N-[3-(dimethylamino)propyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362124
(4-methylpiperazin-1-yl)-[2-(6-pyridin-4-ylindolizin-3-yl)pyrazol-3-yl]methanone
CID 97447266
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
N,N-diethyl-1-[4-(1-methylpyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 119067015

Frequently Asked Questions

What is the IUPAC name of [1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 97447392) is [1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone is Cn1cc(-c2ccc3ccc(-n4ccc(C(=O)N5CCCC5)n4)n3c2)cn1.
What is the InChIKey of [1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WOORPEMMKUXSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-23-13-16(12-21-23)15-4-5-17-6-7-19(25(17)14-15)26-11-8-18(22-26)20(27)24-9-2-3-10-24/h4-8,11-14H,2-3,9-10H2,1H3.
What are the key properties of [1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 360.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(1-methylpyrazol-4-yl)indolizin-3-yl]pyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97447392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).