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

C26H29N7O — CID 155282265

IUPAC3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one
SMILESCC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCC(N(C)C)C5=O)cc4)n3)cc12
InChIInChI=1S/C26H29N7O/c1-17(2)21-16-28-33-14-10-18(15-24(21)33)22-9-12-27-26(30-22)29-19-5-7-20(8-6-19)32-13-11-23(25(32)34)31(3)4/h5-10,12,14-17,23H,11,13H2,1-4H3,(H,27,29,30)
InChIKeyRKLVGEANGUAVPO-UHFFFAOYSA-N
MW455.57 g/mol
LogP4.33
Rot. Bonds6

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

3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one (PubChem CID 155282265) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one
PubChem CID155282265
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one
SMILESCC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCC(N(C)C)C5=O)cc4)n3)cc12
InChIInChI=1S/C26H29N7O/c1-17(2)21-16-28-33-14-10-18(15-24(21)33)22-9-12-27-26(30-22)29-19-5-7-20(8-6-19)32-13-11-23(25(32)34)31(3)4/h5-10,12,14-17,23H,11,13H2,1-4H3,(H,27,29,30)
InChIKeyRKLVGEANGUAVPO-UHFFFAOYSA-N
XLogP4.33
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
CID 155281963
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
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
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
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
[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
(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-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)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
CID 167637493
(3S)-3-(dimethylamino)-1-[6-[[4-(4-fluoro-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-2-one
CID 155282332
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-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 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) is 3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one is CC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CCC(N(C)C)C5=O)cc4)n3)cc12.
What is the InChIKey of 3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one?
The InChIKey is RKLVGEANGUAVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-17(2)21-16-28-33-14-10-18(15-24(21)33)22-9-12-27-26(30-22)29-19-5-7-20(8-6-19)32-13-11-23(25(32)34)31(3)4/h5-10,12,14-17,23H,11,13H2,1-4H3,(H,27,29,30).
What are the key properties of 3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one?
3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one has a molecular weight of 455.57 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 155282265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).