(5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C17H23N5O2 — CID 146153722

IUPAC(5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NC3CC(Cn4ccnc4)C3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C17H23N5O2/c1-10-5-14-15(11(2)24-10)20-21-16(14)17(23)19-13-6-12(7-13)8-22-4-3-18-9-22/h3-4,9-13H,5-8H2,1-2H3,(H,19,23)(H,20,21)/t10-,11+,12?,13?/m1/s1
InChIKeyXORHISULGLPZHG-IALDZJHCSA-N
MW329.40 g/mol
LogP1.84
Rot. Bonds4

About (5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146153722) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146153722
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NC3CC(Cn4ccnc4)C3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C17H23N5O2/c1-10-5-14-15(11(2)24-10)20-21-16(14)17(23)19-13-6-12(7-13)8-22-4-3-18-9-22/h3-4,9-13H,5-8H2,1-2H3,(H,19,23)(H,20,21)/t10-,11+,12?,13?/m1/s1
InChIKeyXORHISULGLPZHG-IALDZJHCSA-N
XLogP1.84
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146153722) is (5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NC3CC(Cn4ccnc4)C3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is XORHISULGLPZHG-IALDZJHCSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10-5-14-15(11(2)24-10)20-21-16(14)17(23)19-13-6-12(7-13)8-22-4-3-18-9-22/h3-4,9-13H,5-8H2,1-2H3,(H,19,23)(H,20,21)/t10-,11+,12?,13?/m1/s1.
What are the key properties of (5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[3-(imidazol-1-ylmethyl)cyclobutyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146153722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).