[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

C18H18N6O — CID 127246620

IUPAC[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCc1ccnc(C2CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1
InChIInChI=1S/C18H18N6O/c1-13-5-8-19-17(22-13)15-6-10-23(12-15)18(25)14-3-4-16(20-11-14)24-9-2-7-21-24/h2-5,7-9,11,15H,6,10,12H2,1H3
InChIKeyLKCGIGKEHISWNH-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.00
Rot. Bonds3

About [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 127246620) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
PubChem CID127246620
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCc1ccnc(C2CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1
InChIInChI=1S/C18H18N6O/c1-13-5-8-19-17(22-13)15-6-10-23(12-15)18(25)14-3-4-16(20-11-14)24-9-2-7-21-24/h2-5,7-9,11,15H,6,10,12H2,1H3
InChIKeyLKCGIGKEHISWNH-UHFFFAOYSA-N
XLogP2.00
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124972028
3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124968805
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110115882
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427
N-[4-[3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127246605
N-[4-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 125021033
[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125013420
[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125024145
1,3-benzodioxol-5-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 127246578
N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3865479
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125010503

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 127246620) is [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is Cc1ccnc(C2CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)n1.
What is the InChIKey of [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The InChIKey is LKCGIGKEHISWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-13-5-8-19-17(22-13)15-6-10-23(12-15)18(25)14-3-4-16(20-11-14)24-9-2-7-21-24/h2-5,7-9,11,15H,6,10,12H2,1H3.
What are the key properties of [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 334.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 127246620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).