(4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C22H23N5O2 — CID 136697768

IUPAC(4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(-c2ccccc2)c2c1NC(=O)C[C@@H]2c1cccnc1N1CCOCC1
InChIInChI=1S/C22H23N5O2/c1-26-22-19(20(25-26)15-6-3-2-4-7-15)17(14-18(28)24-22)16-8-5-9-23-21(16)27-10-12-29-13-11-27/h2-9,17H,10-14H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyUACAPFVMFCEDLY-QGZVFWFLSA-N
MW389.46 g/mol
LogP2.79
Rot. Bonds3

About (4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136697768) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136697768
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(-c2ccccc2)c2c1NC(=O)C[C@@H]2c1cccnc1N1CCOCC1
InChIInChI=1S/C22H23N5O2/c1-26-22-19(20(25-26)15-6-3-2-4-7-15)17(14-18(28)24-22)16-8-5-9-23-21(16)27-10-12-29-13-11-27/h2-9,17H,10-14H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyUACAPFVMFCEDLY-QGZVFWFLSA-N
XLogP2.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4-(2-morpholin-4-yl-3-pyridinyl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136697938
(4R)-1-methyl-4-(2-phenylpyrazol-3-yl)-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737738
(4R)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136821293
1,3-dimethyl-4-(7-methyl-2-morpholin-4-ylquinolin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169422291
4-(1,3-benzothiazol-7-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169412653
3-methyl-4-(2-morpholin-4-ylquinolin-3-yl)-1-propyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170507575
4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620906
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171911828
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135988357
4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135653356
(4R)-1,3-dimethyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136733990
4-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171388370

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136697768) is (4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1nc(-c2ccccc2)c2c1NC(=O)C[C@@H]2c1cccnc1N1CCOCC1.
What is the InChIKey of (4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is UACAPFVMFCEDLY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-26-22-19(20(25-26)15-6-3-2-4-7-15)17(14-18(28)24-22)16-8-5-9-23-21(16)27-10-12-29-13-11-27/h2-9,17H,10-14H2,1H3,(H,24,28)/t17-/m1/s1.
What are the key properties of (4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 389.46 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-4-(2-morpholin-4-yl-3-pyridinyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136697768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).