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

C24H27ClN8O2 — CID 126970673

IUPAC(2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCc1nn(C2CCN(C(=O)[C@@H](C)O)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/m1/s1
InChIKeyPZKWAHCUWGHBLH-MRXNPFEDSA-N
MW494.99 g/mol
LogP3.55
Rot. Bonds5

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

(2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 126970673) has the molecular formula C24H27ClN8O2 and a molecular weight of 494.99 g/mol. Its IUPAC name is (2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one
PubChem CID126970673
Molecular FormulaC24H27ClN8O2
Molecular Weight494.99 g/mol
Exact Mass494.19
IUPAC Name(2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCc1nn(C2CCN(C(=O)[C@@H](C)O)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/m1/s1
InChIKeyPZKWAHCUWGHBLH-MRXNPFEDSA-N
XLogP3.55
TPSA113.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.99
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one (CID 126970673) is (2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one is Cc1nn(C2CCN(C(=O)[C@@H](C)O)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1.
What is the InChIKey of (2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is PZKWAHCUWGHBLH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27ClN8O2/c1-14-21(15(2)33(30-14)17-7-10-31(11-8-17)23(35)16(3)34)28-24-26-13-19(25)22(29-24)18-12-27-32-9-5-4-6-20(18)32/h4-6,9,12-13,16-17,34H,7-8,10-11H2,1-3H3,(H,26,28,29)/t16-/m1/s1.
What are the key properties of (2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
(2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 494.99 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 126970673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).