5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine

C16H17N5 — CID 138391860

IUPAC5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccncc2)n2nc(C3CCCN3)cc2n1
InChIInChI=1S/C16H17N5/c1-11-9-15(12-4-7-17-8-5-12)21-16(19-11)10-14(20-21)13-3-2-6-18-13/h4-5,7-10,13,18H,2-3,6H2,1H3
InChIKeyAESCNJKTPCAGJH-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.52
Rot. Bonds2

About 5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine

5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 138391860) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID138391860
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccncc2)n2nc(C3CCCN3)cc2n1
InChIInChI=1S/C16H17N5/c1-11-9-15(12-4-7-17-8-5-12)21-16(19-11)10-14(20-21)13-3-2-6-18-13/h4-5,7-10,13,18H,2-3,6H2,1H3
InChIKeyAESCNJKTPCAGJH-UHFFFAOYSA-N
XLogP2.52
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 138391857
4-(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)benzoic acid
CID 138391850
N-cyclopropyl-5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 138391891
5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 138391870
3-[(5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile
CID 138391887
5-chloro-7-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 76668404
7-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyridine
CID 83831853
2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine
CID 58029367
5-methyl-7-(3-nitrophenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 69132149
4-methyl-6-[(2S)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 83858445
4-methyl-6-(2-methylpyrazol-3-yl)-2-[(2R)-pyrrolidin-2-yl]pyrimidine
CID 124641631
2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114269459

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine (CID 138391860) is 5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(-c2ccncc2)n2nc(C3CCCN3)cc2n1.
What is the InChIKey of 5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is AESCNJKTPCAGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-9-15(12-4-7-17-8-5-12)21-16(19-11)10-14(20-21)13-3-2-6-18-13/h4-5,7-10,13,18H,2-3,6H2,1H3.
What are the key properties of 5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine?
5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 279.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 138391860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).