(4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone

C23H28N6O — CID 123918214

IUPAC(4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCc1ccnc(C(=O)N2CCCCC2c2cc3nc(N4CCCC4)c(C)cn3n2)c1
InChIInChI=1S/C23H28N6O/c1-16-8-9-24-19(13-16)23(30)28-12-4-3-7-20(28)18-14-21-25-22(27-10-5-6-11-27)17(2)15-29(21)26-18/h8-9,13-15,20H,3-7,10-12H2,1-2H3
InChIKeyAXCBNFFNRDORDM-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.71
Rot. Bonds3

About (4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone

(4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 123918214) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is (4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
PubChem CID123918214
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name(4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
SMILESCc1ccnc(C(=O)N2CCCCC2c2cc3nc(N4CCCC4)c(C)cn3n2)c1
InChIInChI=1S/C23H28N6O/c1-16-8-9-24-19(13-16)23(30)28-12-4-3-7-20(28)18-14-21-25-22(27-10-5-6-11-27)17(2)15-29(21)26-18/h8-9,13-15,20H,3-7,10-12H2,1-2H3
InChIKeyAXCBNFFNRDORDM-UHFFFAOYSA-N
XLogP3.71
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

imidazo[1,2-a]pyridin-2-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123872101
(5-methyl-1H-pyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123266334
[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-iodo-2-pyridinyl)methanone
CID 131996295
(1-ethyl-5-methylpyrazol-3-yl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123277488
[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone
CID 131996137
[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-[(methylideneamino)methyl]pyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-iodo-2-pyridinyl)methanone
CID 131996199
1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 123145286
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 58029383
5-chloro-3-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 123888393
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 58029672
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 58029877
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 118667108

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone (CID 123918214) is (4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone is Cc1ccnc(C(=O)N2CCCCC2c2cc3nc(N4CCCC4)c(C)cn3n2)c1.
What is the InChIKey of (4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is AXCBNFFNRDORDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-16-8-9-24-19(13-16)23(30)28-12-4-3-7-20(28)18-14-21-25-22(27-10-5-6-11-27)17(2)15-29(21)26-18/h8-9,13-15,20H,3-7,10-12H2,1-2H3.
What are the key properties of (4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?
(4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 404.52 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridinyl)-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 123918214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).