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

C25H27N7O — CID 155282336

IUPAC1-[3-methyl-4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
SMILESCc1cc(N2CCNCC2=O)ccc1Nc1nccc(-c2ccn3ncc(C(C)C)c3c2)n1
InChIInChI=1S/C25H27N7O/c1-16(2)20-14-28-32-10-7-18(13-23(20)32)22-6-8-27-25(30-22)29-21-5-4-19(12-17(21)3)31-11-9-26-15-24(31)33/h4-8,10,12-14,16,26H,9,11,15H2,1-3H3,(H,27,29,30)
InChIKeyQWMOHVPLAOVHRJ-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.90
Rot. Bonds5

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

1-[3-methyl-4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one (PubChem CID 155282336) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[3-methyl-4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[3-methyl-4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
PubChem CID155282336
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name1-[3-methyl-4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
SMILESCc1cc(N2CCNCC2=O)ccc1Nc1nccc(-c2ccn3ncc(C(C)C)c3c2)n1
InChIInChI=1S/C25H27N7O/c1-16(2)20-14-28-32-10-7-18(13-23(20)32)22-6-8-27-25(30-22)29-21-5-4-19(12-17(21)3)31-11-9-26-15-24(31)33/h4-8,10,12-14,16,26H,9,11,15H2,1-3H3,(H,27,29,30)
InChIKeyQWMOHVPLAOVHRJ-UHFFFAOYSA-N
XLogP3.90
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-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-[3-methyl-4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one (CID 155282336) is 1-[3-methyl-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-[3-methyl-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-[3-methyl-4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one is Cc1cc(N2CCNCC2=O)ccc1Nc1nccc(-c2ccn3ncc(C(C)C)c3c2)n1.
What is the InChIKey of 1-[3-methyl-4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one?
The InChIKey is QWMOHVPLAOVHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-16(2)20-14-28-32-10-7-18(13-23(20)32)22-6-8-27-25(30-22)29-21-5-4-19(12-17(21)3)31-11-9-26-15-24(31)33/h4-8,10,12-14,16,26H,9,11,15H2,1-3H3,(H,27,29,30).
What are the key properties of 1-[3-methyl-4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one?
1-[3-methyl-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 441.54 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-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 155282336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).