5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20ClN7O2 — CID 137449647

IUPAC5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(N3CCOCC3)c2Cl)nc2c(C(N)=O)cnn12
InChIInChI=1S/C18H20ClN7O2/c1-21-15-9-14(24-18-11(17(20)27)10-22-26(15)18)23-12-3-2-4-13(16(12)19)25-5-7-28-8-6-25/h2-4,9-10,21H,5-8H2,1H3,(H2,20,27)(H,23,24)
InChIKeyKIEMADBTHMBCDS-UHFFFAOYSA-N
MW401.86 g/mol
LogP2.10
Rot. Bonds5

About 5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449647) has the molecular formula C18H20ClN7O2 and a molecular weight of 401.86 g/mol. Its IUPAC name is 5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449647
Molecular FormulaC18H20ClN7O2
Molecular Weight401.86 g/mol
Exact Mass401.14
IUPAC Name5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(N3CCOCC3)c2Cl)nc2c(C(N)=O)cnn12
InChIInChI=1S/C18H20ClN7O2/c1-21-15-9-14(24-18-11(17(20)27)10-22-26(15)18)23-12-3-2-4-13(16(12)19)25-5-7-28-8-6-25/h2-4,9-10,21H,5-8H2,1H3,(H2,20,27)(H,23,24)
InChIKeyKIEMADBTHMBCDS-UHFFFAOYSA-N
XLogP2.10
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)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 5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449647) is 5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc(N3CCOCC3)c2Cl)nc2c(C(N)=O)cnn12.
What is the InChIKey of 5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KIEMADBTHMBCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O2/c1-21-15-9-14(24-18-11(17(20)27)10-22-26(15)18)23-12-3-2-4-13(16(12)19)25-5-7-28-8-6-25/h2-4,9-10,21H,5-8H2,1H3,(H2,20,27)(H,23,24).
What are the key properties of 5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 401.86 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-morpholin-4-ylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).