5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one

C24H23Cl2N5O2 — CID 177004347

IUPAC5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc2c(cnn2Cc2ccccc2Cl)c(=O)n1-c1cc(N[C@H](CO)C2CC2)ncc1Cl
InChIInChI=1S/C24H23Cl2N5O2/c1-14-8-21-17(10-28-30(21)12-16-4-2-3-5-18(16)25)24(33)31(14)22-9-23(27-11-19(22)26)29-20(13-32)15-6-7-15/h2-5,8-11,15,20,32H,6-7,12-13H2,1H3,(H,27,29)/t20-/m1/s1
InChIKeyYNPXUKPSKJCYCG-HXUWFJFHSA-N
MW484.39 g/mol
LogP4.43
Rot. Bonds7

About 5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one

5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one (PubChem CID 177004347) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one
PubChem CID177004347
Molecular FormulaC24H23Cl2N5O2
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc2c(cnn2Cc2ccccc2Cl)c(=O)n1-c1cc(N[C@H](CO)C2CC2)ncc1Cl
InChIInChI=1S/C24H23Cl2N5O2/c1-14-8-21-17(10-28-30(21)12-16-4-2-3-5-18(16)25)24(33)31(14)22-9-23(27-11-19(22)26)29-20(13-32)15-6-7-15/h2-5,8-11,15,20,32H,6-7,12-13H2,1H3,(H,27,29)/t20-/m1/s1
InChIKeyYNPXUKPSKJCYCG-HXUWFJFHSA-N
XLogP4.43
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one (CID 177004347) is 5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one is Cc1cc2c(cnn2Cc2ccccc2Cl)c(=O)n1-c1cc(N[C@H](CO)C2CC2)ncc1Cl.
What is the InChIKey of 5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one?
The InChIKey is YNPXUKPSKJCYCG-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c1-14-8-21-17(10-28-30(21)12-16-4-2-3-5-18(16)25)24(33)31(14)22-9-23(27-11-19(22)26)29-20(13-32)15-6-7-15/h2-5,8-11,15,20,32H,6-7,12-13H2,1H3,(H,27,29)/t20-/m1/s1.
What are the key properties of 5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one?
5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one has a molecular weight of 484.39 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 177004347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).