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

C15H16ClN7O2 — CID 137449658

IUPAC5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(Cl)cc(Nc2cc(NC)n3ncc(C(N)=O)c3n2)c1=O
InChIInChI=1S/C15H16ClN7O2/c1-3-22-7-8(16)4-10(15(22)25)20-11-5-12(18-2)23-14(21-11)9(6-19-23)13(17)24/h4-7,18H,3H2,1-2H3,(H2,17,24)(H,20,21)
InChIKeySQZMGGXYTMYSKO-UHFFFAOYSA-N
MW361.79 g/mol
LogP1.45
Rot. Bonds5

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

5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449658) has the molecular formula C15H16ClN7O2 and a molecular weight of 361.79 g/mol. Its IUPAC name is 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449658
Molecular FormulaC15H16ClN7O2
Molecular Weight361.79 g/mol
Exact Mass361.11
IUPAC Name5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(Cl)cc(Nc2cc(NC)n3ncc(C(N)=O)c3n2)c1=O
InChIInChI=1S/C15H16ClN7O2/c1-3-22-7-8(16)4-10(15(22)25)20-11-5-12(18-2)23-14(21-11)9(6-19-23)13(17)24/h4-7,18H,3H2,1-2H3,(H2,17,24)(H,20,21)
InChIKeySQZMGGXYTMYSKO-UHFFFAOYSA-N
XLogP1.45
TPSA119.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457902
5-[[1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457538
5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449133
5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569470
5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523721
5-[[1-[(2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560731
5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523940
5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclobutane
CID 142523620
5-[[5-chloro-1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450110
cyclopropane;5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523870
tert-butyl N-[5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137450596
5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane
CID 142523460

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449658) is 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(Cl)cc(Nc2cc(NC)n3ncc(C(N)=O)c3n2)c1=O.
What is the InChIKey of 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SQZMGGXYTMYSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O2/c1-3-22-7-8(16)4-10(15(22)25)20-11-5-12(18-2)23-14(21-11)9(6-19-23)13(17)24/h4-7,18H,3H2,1-2H3,(H2,17,24)(H,20,21).
What are the key properties of 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 361.79 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).