1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one

C26H27ClN6O3 — CID 68608062

IUPAC1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCOc1cc(C2CCN(C(=O)C(C)O)CC2)ccc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C26H27ClN6O3/c1-16(34)25(35)32-11-8-17(9-12-32)18-6-7-21(23(13-18)36-2)30-26-28-15-20(27)24(31-26)19-14-29-33-10-4-3-5-22(19)33/h3-7,10,13-17,34H,8-9,11-12H2,1-2H3,(H,28,30,31)
InChIKeyBAZDFNYSUJHGBY-UHFFFAOYSA-N
MW506.99 g/mol
LogP4.28
Rot. Bonds6

About 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one

1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 68608062) has the molecular formula C26H27ClN6O3 and a molecular weight of 506.99 g/mol. Its IUPAC name is 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one
PubChem CID68608062
Molecular FormulaC26H27ClN6O3
Molecular Weight506.99 g/mol
Exact Mass506.18
IUPAC Name1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCOc1cc(C2CCN(C(=O)C(C)O)CC2)ccc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C26H27ClN6O3/c1-16(34)25(35)32-11-8-17(9-12-32)18-6-7-21(23(13-18)36-2)30-26-28-15-20(27)24(31-26)19-14-29-33-10-4-3-5-22(19)33/h3-7,10,13-17,34H,8-9,11-12H2,1-2H3,(H,28,30,31)
InChIKeyBAZDFNYSUJHGBY-UHFFFAOYSA-N
XLogP4.28
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.99
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one with MolForge

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Related Compounds

4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide
CID 45381642
1-[4-[3-methoxy-4-[(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 67372205
1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127051621
1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-ethylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127050855
3-N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-4-methoxy-6-(1-methylpyrrolidin-3-yl)oxybenzene-1,3-diamine
CID 174839968
3-N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-4-methoxy-6-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)benzene-1,3-diamine
CID 86677239
N-[3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-(dimethylamino)butanamide
CID 73356867
3-N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-methoxybenzene-1,3-diamine
CID 154245636
(E)-N-[3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-(dimethylamino)but-2-enamide
CID 73294507
(2Z)-N-[5-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]penta-2,4-dienamide
CID 167434903
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 45381799
3-N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-4-methoxy-6-(5-methyl-2,5-diazaspiro[3.41]pentatetracontan-2-yl)benzene-1,3-diamine
CID 134587841

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one (CID 68608062) is 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one is COc1cc(C2CCN(C(=O)C(C)O)CC2)ccc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1.
What is the InChIKey of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is BAZDFNYSUJHGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O3/c1-16(34)25(35)32-11-8-17(9-12-32)18-6-7-21(23(13-18)36-2)30-26-28-15-20(27)24(31-26)19-14-29-33-10-4-3-5-22(19)33/h3-7,10,13-17,34H,8-9,11-12H2,1-2H3,(H,28,30,31).
What are the key properties of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one?
1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 506.99 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 68608062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).