7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H14ClN7O2 — CID 137449535

IUPAC7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(Cl)cc(Nc2cc(N)n3ncc(C(N)=O)c3n2)c1=O
InChIInChI=1S/C14H14ClN7O2/c1-2-21-6-7(15)3-9(14(21)24)19-11-4-10(16)22-13(20-11)8(5-18-22)12(17)23/h3-6H,2,16H2,1H3,(H2,17,23)(H,19,20)
InChIKeyVPLYVCQWOUWIAJ-UHFFFAOYSA-N
MW347.77 g/mol
LogP0.99
Rot. Bonds4

About 7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449535) has the molecular formula C14H14ClN7O2 and a molecular weight of 347.77 g/mol. Its IUPAC name is 7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449535
Molecular FormulaC14H14ClN7O2
Molecular Weight347.77 g/mol
Exact Mass347.09
IUPAC Name7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(Cl)cc(Nc2cc(N)n3ncc(C(N)=O)c3n2)c1=O
InChIInChI=1S/C14H14ClN7O2/c1-2-21-6-7(15)3-9(14(21)24)19-11-4-10(16)22-13(20-11)8(5-18-22)12(17)23/h3-6H,2,16H2,1H3,(H2,17,23)(H,19,20)
InChIKeyVPLYVCQWOUWIAJ-UHFFFAOYSA-N
XLogP0.99
TPSA133.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-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 7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449535) is 7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(Cl)cc(Nc2cc(N)n3ncc(C(N)=O)c3n2)c1=O.
What is the InChIKey of 7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VPLYVCQWOUWIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN7O2/c1-2-21-6-7(15)3-9(14(21)24)19-11-4-10(16)22-13(20-11)8(5-18-22)12(17)23/h3-6H,2,16H2,1H3,(H2,17,23)(H,19,20).
What are the key properties of 7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 347.77 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).