1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone

C22H23ClN8O — CID 127051622

IUPAC1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)c2C)CC1
InChIInChI=1S/C22H23ClN8O/c1-14-19(13-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-24-12-18(23)21(28-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,27,28)
InChIKeyMKEZXJZAKPJGKM-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.88
Rot. Bonds4

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

1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 127051622) has the molecular formula C22H23ClN8O and a molecular weight of 450.93 g/mol. Its IUPAC name is 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID127051622
Molecular FormulaC22H23ClN8O
Molecular Weight450.93 g/mol
Exact Mass450.17
IUPAC Name1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)c2C)CC1
InChIInChI=1S/C22H23ClN8O/c1-14-19(13-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-24-12-18(23)21(28-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,27,28)
InChIKeyMKEZXJZAKPJGKM-UHFFFAOYSA-N
XLogP3.88
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone (CID 127051622) is 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2ncc(Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)c2C)CC1.
What is the InChIKey of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is MKEZXJZAKPJGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN8O/c1-14-19(13-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-24-12-18(23)21(28-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,27,28).
What are the key properties of 1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 450.93 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 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]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 127051622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).