N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H25N5O2 — CID 110100928

IUPACN-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCN(C4CCOCC4)CC3)ccnc12
InChIInChI=1S/C18H25N5O2/c1-19-18(24)15-12-21-23-16(2-7-20-17(15)23)13-3-8-22(9-4-13)14-5-10-25-11-6-14/h2,7,12-14H,3-6,8-11H2,1H3,(H,19,24)
InChIKeyNRGAAYLIKOEGQJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.45
Rot. Bonds3

About N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110100928) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110100928
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1cnn2c(C3CCN(C4CCOCC4)CC3)ccnc12
InChIInChI=1S/C18H25N5O2/c1-19-18(24)15-12-21-23-16(2-7-20-17(15)23)13-3-8-22(9-4-13)14-5-10-25-11-6-14/h2,7,12-14H,3-6,8-11H2,1H3,(H,19,24)
InChIKeyNRGAAYLIKOEGQJ-UHFFFAOYSA-N
XLogP1.45
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110100928) is N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c(C3CCN(C4CCOCC4)CC3)ccnc12.
What is the InChIKey of N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NRGAAYLIKOEGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-19-18(24)15-12-21-23-16(2-7-20-17(15)23)13-3-8-22(9-4-13)14-5-10-25-11-6-14/h2,7,12-14H,3-6,8-11H2,1H3,(H,19,24).
What are the key properties of N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110100928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).