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

C16H18ClN7O2 — CID 137457902

IUPAC5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cnc2OC(C)C)nc2c(C(N)=O)cnn12
InChIInChI=1S/C16H18ClN7O2/c1-8(2)26-16-11(4-9(17)6-20-16)22-12-5-13(19-3)24-15(23-12)10(7-21-24)14(18)25/h4-8,19H,1-3H3,(H2,18,25)(H,22,23)
InChIKeyOHHXCTKINKVPML-UHFFFAOYSA-N
MW375.82 g/mol
LogP2.45
Rot. Bonds6

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

5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137457902) has the molecular formula C16H18ClN7O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137457902
Molecular FormulaC16H18ClN7O2
Molecular Weight375.82 g/mol
Exact Mass375.12
IUPAC Name5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cnc2OC(C)C)nc2c(C(N)=O)cnn12
InChIInChI=1S/C16H18ClN7O2/c1-8(2)26-16-11(4-9(17)6-20-16)22-12-5-13(19-3)24-15(23-12)10(7-21-24)14(18)25/h4-8,19H,1-3H3,(H2,18,25)(H,22,23)
InChIKeyOHHXCTKINKVPML-UHFFFAOYSA-N
XLogP2.45
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457909
5-[[5-chloro-2-(3-methoxycyclobutyl)oxy-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449133
N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457779
5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449658
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
methoxycyclobutane;7-(methylamino)-5-[[1-(1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142524067
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
1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 164970078
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
methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane
CID 142523738

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137457902) is 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(Cl)cnc2OC(C)C)nc2c(C(N)=O)cnn12.
What is the InChIKey of 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OHHXCTKINKVPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7O2/c1-8(2)26-16-11(4-9(17)6-20-16)22-12-5-13(19-3)24-15(23-12)10(7-21-24)14(18)25/h4-8,19H,1-3H3,(H2,18,25)(H,22,23).
What are the key properties of 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 375.82 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137457902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).