7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H25N5O2 — CID 118770888

IUPAC7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCN(CC3CCCO3)CC2)cnc2ccnn12
InChIInChI=1S/C18H25N5O2/c1-13-16(11-19-17-4-7-20-23(13)17)18(24)21-14-5-8-22(9-6-14)12-15-3-2-10-25-15/h4,7,11,14-15H,2-3,5-6,8-10,12H2,1H3,(H,21,24)
InChIKeyYUIZIKYCILVWMD-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.41
Rot. Bonds4

About 7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 118770888) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID118770888
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCN(CC3CCCO3)CC2)cnc2ccnn12
InChIInChI=1S/C18H25N5O2/c1-13-16(11-19-17-4-7-20-23(13)17)18(24)21-14-5-8-22(9-6-14)12-15-3-2-10-25-15/h4,7,11,14-15H,2-3,5-6,8-10,12H2,1H3,(H,21,24)
InChIKeyYUIZIKYCILVWMD-UHFFFAOYSA-N
XLogP1.41
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 118770888) is 7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2CCN(CC3CCCO3)CC2)cnc2ccnn12.
What is the InChIKey of 7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YUIZIKYCILVWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-16(11-19-17-4-7-20-23(13)17)18(24)21-14-5-8-22(9-6-14)12-15-3-2-10-25-15/h4,7,11,14-15H,2-3,5-6,8-10,12H2,1H3,(H,21,24).
What are the key properties of 7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 118770888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).