2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H24N6 — CID 110220484

IUPAC2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(CN2CCCC(c3cc(N)n4nc(C)cc4n3)C2)n1
InChIInChI=1S/C19H24N6/c1-13-5-3-7-16(21-13)12-24-8-4-6-15(11-24)17-10-18(20)25-19(22-17)9-14(2)23-25/h3,5,7,9-10,15H,4,6,8,11-12,20H2,1-2H3
InChIKeyFTPRYAHYQOTPDT-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 110220484) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID110220484
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(CN2CCCC(c3cc(N)n4nc(C)cc4n3)C2)n1
InChIInChI=1S/C19H24N6/c1-13-5-3-7-16(21-13)12-24-8-4-6-15(11-24)17-10-18(20)25-19(22-17)9-14(2)23-25/h3,5,7,9-10,15H,4,6,8,11-12,20H2,1-2H3
InChIKeyFTPRYAHYQOTPDT-UHFFFAOYSA-N
XLogP2.70
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 110220484) is 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cccc(CN2CCCC(c3cc(N)n4nc(C)cc4n3)C2)n1.
What is the InChIKey of 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FTPRYAHYQOTPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-13-5-3-7-16(21-13)12-24-8-4-6-15(11-24)17-10-18(20)25-19(22-17)9-14(2)23-25/h3,5,7,9-10,15H,4,6,8,11-12,20H2,1-2H3.
What are the key properties of 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 336.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 110220484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).