6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H25N5O2 — CID 91767346

IUPAC6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCCC3)cnn2c1
InChIInChI=1S/C19H25N5O2/c1-12-9-20-18-14(10-21-24(18)11-12)19(25)22-15-13-5-8-26-17(13)16(15)23-6-3-2-4-7-23/h9-11,13,15-17H,2-8H2,1H3,(H,22,25)/t13-,15+,16-,17-/m1/s1
InChIKeyIKAGDLHIZGTFKQ-XLNGHYISSA-N
MW355.44 g/mol
LogP1.41
Rot. Bonds3

About 6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 91767346) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID91767346
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCCC3)cnn2c1
InChIInChI=1S/C19H25N5O2/c1-12-9-20-18-14(10-21-24(18)11-12)19(25)22-15-13-5-8-26-17(13)16(15)23-6-3-2-4-7-23/h9-11,13,15-17H,2-8H2,1H3,(H,22,25)/t13-,15+,16-,17-/m1/s1
InChIKeyIKAGDLHIZGTFKQ-XLNGHYISSA-N
XLogP1.41
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 91767346) is 6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCCC3)cnn2c1.
What is the InChIKey of 6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IKAGDLHIZGTFKQ-XLNGHYISSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-9-20-18-14(10-21-24(18)11-12)19(25)22-15-13-5-8-26-17(13)16(15)23-6-3-2-4-7-23/h9-11,13,15-17H,2-8H2,1H3,(H,22,25)/t13-,15+,16-,17-/m1/s1.
What are the key properties of 6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91767346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).