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(4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H17N5O2 — CID 136737721

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(-c2cccnc2)c2c1NC(=O)C[C@@H]2c1ccc2cccc(O)c2n1
InChIInChI=1S/C21H17N5O2/c1-26-21-18(20(25-26)13-5-3-9-22-11-13)14(10-17(28)24-21)15-8-7-12-4-2-6-16(27)19(12)23-15/h2-9,11,14,27H,10H2,1H3,(H,24,28)/t14-/m1/s1
InChIKeyDEBRURTXVCLEPO-CQSZACIVSA-N
MW371.40 g/mol
LogP3.21
Rot. Bonds2

About (4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136737721) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is (4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136737721
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name(4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(-c2cccnc2)c2c1NC(=O)C[C@@H]2c1ccc2cccc(O)c2n1
InChIInChI=1S/C21H17N5O2/c1-26-21-18(20(25-26)13-5-3-9-22-11-13)14(10-17(28)24-21)15-8-7-12-4-2-6-16(27)19(12)23-15/h2-9,11,14,27H,10H2,1H3,(H,24,28)/t14-/m1/s1
InChIKeyDEBRURTXVCLEPO-CQSZACIVSA-N
XLogP3.21
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136737721) is (4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1nc(-c2cccnc2)c2c1NC(=O)C[C@@H]2c1ccc2cccc(O)c2n1.
What is the InChIKey of (4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DEBRURTXVCLEPO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-26-21-18(20(25-26)13-5-3-9-22-11-13)14(10-17(28)24-21)15-8-7-12-4-2-6-16(27)19(12)23-15/h2-9,11,14,27H,10H2,1H3,(H,24,28)/t14-/m1/s1.
What are the key properties of (4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 371.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(8-hydroxyquinolin-2-yl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136737721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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