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

C24H28ClN9O — CID 127051128

IUPAC(2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCc1nn(C2CCN(C(=O)[C@@H](C)N)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/m1/s1
InChIKeyHZSFGSOFGMHYMF-CQSZACIVSA-N
MW494.00 g/mol
LogP3.51
Rot. Bonds5

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

(2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 127051128) has the molecular formula C24H28ClN9O and a molecular weight of 494.00 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID127051128
Molecular FormulaC24H28ClN9O
Molecular Weight494.00 g/mol
Exact Mass493.21
IUPAC Name(2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCc1nn(C2CCN(C(=O)[C@@H](C)N)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIInChI=1S/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/m1/s1
InChIKeyHZSFGSOFGMHYMF-CQSZACIVSA-N
XLogP3.51
TPSA119.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.00
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one (CID 127051128) is (2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one is Cc1nn(C2CCN(C(=O)[C@@H](C)N)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1.
What is the InChIKey of (2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is HZSFGSOFGMHYMF-CQSZACIVSA-N. The full InChI is InChI=1S/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 494.00 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 127051128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).