1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone

C19H24N6O3 — CID 158444560

IUPAC1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)COC(C)(C)C)cnn12
InChIInChI=1S/C19H24N6O3/c1-19(2,3)28-11-14(26)12-10-22-25-16(20-4)9-15(24-17(12)25)23-13-7-6-8-21-18(13)27-5/h6-10,20H,11H2,1-5H3,(H,23,24)
InChIKeyPRUGQJHASUIENV-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.92
Rot. Bonds7

About 1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone

1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 158444560) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID158444560
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)COC(C)(C)C)cnn12
InChIInChI=1S/C19H24N6O3/c1-19(2,3)28-11-14(26)12-10-22-25-16(20-4)9-15(24-17(12)25)23-13-7-6-8-21-18(13)27-5/h6-10,20H,11H2,1-5H3,(H,23,24)
InChIKeyPRUGQJHASUIENV-UHFFFAOYSA-N
XLogP2.92
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(1R,2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158610433
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449157
N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383309
N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450160
5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441488
5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137449309
ethane;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 142524014
CID 142523922
CID 142523922
N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 147700653
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441543
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441403
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441489

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 158444560) is 1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)COC(C)(C)C)cnn12.
What is the InChIKey of 1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is PRUGQJHASUIENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-19(2,3)28-11-14(26)12-10-22-25-16(20-4)9-15(24-17(12)25)23-13-7-6-8-21-18(13)27-5/h6-10,20H,11H2,1-5H3,(H,23,24).
What are the key properties of 1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 384.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 158444560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).