[3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone

C27H30N6O — CID 167637493

IUPAC[3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
SMILESCC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(C(=O)N5CC(N(C)C)C5)cc4)n3)cc12
InChIInChI=1S/C27H30N6O/c1-18(2)23-15-29-33-12-10-21(14-25(23)33)24-9-11-28-26(30-24)13-19-5-7-20(8-6-19)27(34)32-16-22(17-32)31(3)4/h5-12,14-15,18,22H,13,16-17H2,1-4H3
InChIKeyORJNRHIABQUZLE-UHFFFAOYSA-N
MW454.58 g/mol
LogP3.89
Rot. Bonds6

About [3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone

[3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone (PubChem CID 167637493) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is [3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
PubChem CID167637493
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name[3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone
SMILESCC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(C(=O)N5CC(N(C)C)C5)cc4)n3)cc12
InChIInChI=1S/C27H30N6O/c1-18(2)23-15-29-33-12-10-21(14-25(23)33)24-9-11-28-26(30-24)13-19-5-7-20(8-6-19)27(34)32-16-22(17-32)31(3)4/h5-12,14-15,18,22H,13,16-17H2,1-4H3
InChIKeyORJNRHIABQUZLE-UHFFFAOYSA-N
XLogP3.89
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone with MolForge

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Related Compounds

[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-(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
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)-1-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one
CID 155282265
[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 143566015
(4-ethylpiperazin-1-yl)-[5-[2-[[4-(1-hydroxyethyl)phenyl]methyl]pyrimidin-4-yl]thiophen-3-yl]methanone
CID 161172023
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-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 122572045
2-[4-[[4-(3-cyano-4-methoxyphenyl)pyrimidin-2-yl]methyl]-2-methoxy-N-methylanilino]-N,N-dimethylacetamide
CID 158363317
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

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
The IUPAC name of [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) is [3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone.
What is the SMILES notation for [3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
The canonical SMILES for [3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone is CC(C)c1cnn2ccc(-c3ccnc(Cc4ccc(C(=O)N5CC(N(C)C)C5)cc4)n3)cc12.
What is the InChIKey of [3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
The InChIKey is ORJNRHIABQUZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-18(2)23-15-29-33-12-10-21(14-25(23)33)24-9-11-28-26(30-24)13-19-5-7-20(8-6-19)27(34)32-16-22(17-32)31(3)4/h5-12,14-15,18,22H,13,16-17H2,1-4H3.
What are the key properties of [3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone?
[3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone has a molecular weight of 454.58 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)azetidin-1-yl]-[4-[[4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]methanone is sourced from PubChem (CID 167637493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).