N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H23N5O3 — CID 110128047

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cnn2cccnc12
InChIInChI=1S/C17H23N5O3/c23-15-13(3-1-4-14(15)21-7-9-25-10-8-21)20-17(24)12-11-19-22-6-2-5-18-16(12)22/h2,5-6,11,13-15,23H,1,3-4,7-10H2,(H,20,24)/t13-,14-,15-/m1/s1
InChIKeyHAZKJSHVNHUOGX-RBSFLKMASA-N
MW345.40 g/mol
LogP0.07
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110128047) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110128047
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cnn2cccnc12
InChIInChI=1S/C17H23N5O3/c23-15-13(3-1-4-14(15)21-7-9-25-10-8-21)20-17(24)12-11-19-22-6-2-5-18-16(12)22/h2,5-6,11,13-15,23H,1,3-4,7-10H2,(H,20,24)/t13-,14-,15-/m1/s1
InChIKeyHAZKJSHVNHUOGX-RBSFLKMASA-N
XLogP0.07
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110128047) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cnn2cccnc12.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HAZKJSHVNHUOGX-RBSFLKMASA-N. The full InChI is InChI=1S/C17H23N5O3/c23-15-13(3-1-4-14(15)21-7-9-25-10-8-21)20-17(24)12-11-19-22-6-2-5-18-16(12)22/h2,5-6,11,13-15,23H,1,3-4,7-10H2,(H,20,24)/t13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110128047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).