1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one

C24H25N7O — CID 155281963

IUPAC1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
SMILESCC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCNCC5=O)cc4)n3)cc12
InChIInChI=1S/C24H25N7O/c1-16(2)20-14-27-31-11-8-17(13-22(20)31)21-7-9-26-24(29-21)28-18-3-5-19(6-4-18)30-12-10-25-15-23(30)32/h3-9,11,13-14,16,25H,10,12,15H2,1-2H3,(H,26,28,29)
InChIKeyFRQOICITQGQYER-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.59
Rot. Bonds5

About 1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one

1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one (PubChem CID 155281963) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
PubChem CID155281963
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
SMILESCC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCNCC5=O)cc4)n3)cc12
InChIInChI=1S/C24H25N7O/c1-16(2)20-14-27-31-11-8-17(13-22(20)31)21-7-9-26-24(29-21)28-18-3-5-19(6-4-18)30-12-10-25-15-23(30)32/h3-9,11,13-14,16,25H,10,12,15H2,1-2H3,(H,26,28,29)
InChIKeyFRQOICITQGQYER-UHFFFAOYSA-N
XLogP3.59
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-methyl-4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
CID 155282336
3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one
CID 155282265
1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
CID 141101261
3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one
CID 155282339
4-[2-fluoroethyl(methyl)amino]-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
CID 155281861
4-ethyl-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
CID 167580077
methane;4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4S)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;(4R)-4-(methylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperidin-2-one;methyl thiohypofluorite
CID 167657680
4-amino-1-[6-[[4-(3-tert-butylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-4-methylpiperidin-2-one
CID 155282131
1-[4-[[5-chloro-4-[7-fluoro-2-(2-hydroxypropan-2-yl)-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]amino]phenyl]piperazin-2-one
CID 177342494
4-(dimethylamino)-1-[6-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]pyrrolidin-2-one
CID 167641489
(4-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
CID 167689080
1-ethyl-4-[6-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-2,5-dione
CID 155281910

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one?
The IUPAC name of 1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one (CID 155281963) is 1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one.
What is the SMILES notation for 1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one?
The canonical SMILES for 1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one is CC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCNCC5=O)cc4)n3)cc12.
What is the InChIKey of 1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one?
The InChIKey is FRQOICITQGQYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-16(2)20-14-27-31-11-8-17(13-22(20)31)21-7-9-26-24(29-21)28-18-3-5-19(6-4-18)30-12-10-25-15-23(30)32/h3-9,11,13-14,16,25H,10,12,15H2,1-2H3,(H,26,28,29).
What are the key properties of 1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one?
1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one has a molecular weight of 427.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one is sourced from PubChem (CID 155281963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).