3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one

C25H28N8O — CID 155282339

IUPAC3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one
SMILESCNC1CCCN(c2ccc(Nc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)cn2)C1=O
InChIInChI=1S/C25H28N8O/c1-16(2)19-15-29-33-12-9-17(13-22(19)33)20-8-10-27-25(31-20)30-18-6-7-23(28-14-18)32-11-4-5-21(26-3)24(32)34/h6-10,12-16,21,26H,4-5,11H2,1-3H3,(H,27,30,31)
InChIKeyMMYUFYXUUNLCHN-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.77
Rot. Bonds6

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

3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one (PubChem CID 155282339) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one
PubChem CID155282339
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one
SMILESCNC1CCCN(c2ccc(Nc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)cn2)C1=O
InChIInChI=1S/C25H28N8O/c1-16(2)19-15-29-33-12-9-17(13-22(19)33)20-8-10-27-25(31-20)30-18-6-7-23(28-14-18)32-11-4-5-21(26-3)24(32)34/h6-10,12-16,21,26H,4-5,11H2,1-3H3,(H,27,30,31)
InChIKeyMMYUFYXUUNLCHN-UHFFFAOYSA-N
XLogP3.77
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one with MolForge

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Related Compounds

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-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
CID 155281963
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
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
1-[4-[[4-(7-fluoro-3,3-dimethyl-2H-1-benzofuran-5-yl)pyrimidin-2-yl]amino]phenyl]-3-(methylamino)piperidin-2-one
CID 155281955
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-hydroxypiperidin-1-yl)-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
CID 167689080
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-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
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
CID 167639495
N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 175733112
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

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one?
The IUPAC name of 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) is 3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one?
The canonical SMILES for 3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one is CNC1CCCN(c2ccc(Nc3nccc(-c4ccn5ncc(C(C)C)c5c4)n3)cn2)C1=O.
What is the InChIKey of 3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one?
The InChIKey is MMYUFYXUUNLCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-16(2)19-15-29-33-12-9-17(13-22(19)33)20-8-10-27-25(31-20)30-18-6-7-23(28-14-18)32-11-4-5-21(26-3)24(32)34/h6-10,12-16,21,26H,4-5,11H2,1-3H3,(H,27,30,31).
What are the key properties of 3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one?
3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one has a molecular weight of 456.55 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[5-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-2-one is sourced from PubChem (CID 155282339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).