3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H21ClN4O3 — CID 91791233

IUPAC3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)nn2c1
InChIInChI=1S/C17H21ClN4O3/c1-10-6-19-16-14(18)15(21-22(16)7-10)17(23)20-12-9-24-5-4-13(12)25-8-11-2-3-11/h6-7,11-13H,2-5,8-9H2,1H3,(H,20,23)/t12-,13+/m1/s1
InChIKeyTXGZOZPZSOOSKP-OLZOCXBDSA-N
MW364.83 g/mol
LogP2.01
Rot. Bonds5

About 3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 91791233) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID91791233
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)nn2c1
InChIInChI=1S/C17H21ClN4O3/c1-10-6-19-16-14(18)15(21-22(16)7-10)17(23)20-12-9-24-5-4-13(12)25-8-11-2-3-11/h6-7,11-13H,2-5,8-9H2,1H3,(H,20,23)/t12-,13+/m1/s1
InChIKeyTXGZOZPZSOOSKP-OLZOCXBDSA-N
XLogP2.01
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 91791233) is 3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cnc2c(Cl)c(C(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)nn2c1.
What is the InChIKey of 3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is TXGZOZPZSOOSKP-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-10-6-19-16-14(18)15(21-22(16)7-10)17(23)20-12-9-24-5-4-13(12)25-8-11-2-3-11/h6-7,11-13H,2-5,8-9H2,1H3,(H,20,23)/t12-,13+/m1/s1.
What are the key properties of 3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91791233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).