(3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol

C22H24N6O3 — CID 178061654

IUPAC(3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol
SMILESCn1nc(-c2ccccc2)cc1Nc1cc(O[C@H]2COCC[C@H]2O)c2cnn(C)c2n1
InChIInChI=1S/C22H24N6O3/c1-27-21(10-16(26-27)14-6-4-3-5-7-14)24-20-11-18(15-12-23-28(2)22(15)25-20)31-19-13-30-9-8-17(19)29/h3-7,10-12,17,19,29H,8-9,13H2,1-2H3,(H,24,25)/t17-,19+/m1/s1
InChIKeyCQOGXRJPSUFBRO-MJGOQNOKSA-N
MW420.47 g/mol
LogP2.64
Rot. Bonds5

About (3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol

(3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol (PubChem CID 178061654) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is (3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol
PubChem CID178061654
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name(3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol
SMILESCn1nc(-c2ccccc2)cc1Nc1cc(O[C@H]2COCC[C@H]2O)c2cnn(C)c2n1
InChIInChI=1S/C22H24N6O3/c1-27-21(10-16(26-27)14-6-4-3-5-7-14)24-20-11-18(15-12-23-28(2)22(15)25-20)31-19-13-30-9-8-17(19)29/h3-7,10-12,17,19,29H,8-9,13H2,1-2H3,(H,24,25)/t17-,19+/m1/s1
InChIKeyCQOGXRJPSUFBRO-MJGOQNOKSA-N
XLogP2.64
TPSA99.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(5R)-5-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-3-ol
CID 178061560
1-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)-4-[(2S)-oxolan-2-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061816
1-methyl-4-N-[(3R)-3-methyloxolan-3-yl]-6-N-(1-methyl-3-phenylpyrazol-5-yl)pyrazolo[5,4-b]pyridine-4,6-diamine
CID 178061642
N-[3-(3,5-dimethylphenyl)-1-methylpyrazol-5-yl]-4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-amine
CID 178061666
6-N-[3-(3-chlorophenyl)-1-methylpyrazol-5-yl]-1-methyl-4-N-[(3S,4S)-4-methyloxolan-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine
CID 178061518
[(3R,4S)-3,4-dihydroxy-3-[[1-methyl-6-[[1-methyl-3-(3-methylphenyl)pyrazol-5-yl]amino]pyrazolo[5,4-b]pyridin-4-yl]amino]oxan-4-yl] hypoiodite
CID 178061842
4-methoxy-1-methyl-N-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061656
4-methoxy-1-methyl-N-[1-methyl-3-[6-(methylamino)-2-pyridinyl]pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061687
4-methoxy-1-methyl-N-[1-methyl-3-(4-methylpyrimidin-2-yl)pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061700
cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol
CID 178061845
6-N-[3-(1-cyclopropylpyrrolo[2,3-b]pyridin-6-yl)-1-methylpyrazol-5-yl]-1-methyl-4-N-(oxetan-3-yl)pyrazolo[5,4-b]pyridine-4,6-diamine
CID 178061706
1-methyl-6-N-[1-methyl-3-(1-methylpyrazolo[5,4-b]pyridin-6-yl)pyrazol-5-yl]-4-N-[1-(oxetan-3-yl)azetidin-3-yl]pyrazolo[5,4-b]pyridine-4,6-diamine
CID 178061623

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol?
The IUPAC name of (3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol (CID 178061654) is (3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol.
What is the SMILES notation for (3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol?
The canonical SMILES for (3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol is Cn1nc(-c2ccccc2)cc1Nc1cc(O[C@H]2COCC[C@H]2O)c2cnn(C)c2n1.
What is the InChIKey of (3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol?
The InChIKey is CQOGXRJPSUFBRO-MJGOQNOKSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-27-21(10-16(26-27)14-6-4-3-5-7-14)24-20-11-18(15-12-23-28(2)22(15)25-20)31-19-13-30-9-8-17(19)29/h3-7,10-12,17,19,29H,8-9,13H2,1-2H3,(H,24,25)/t17-,19+/m1/s1.
What are the key properties of (3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol?
(3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol has a molecular weight of 420.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[1-methyl-6-[(1-methyl-3-phenylpyrazol-5-yl)amino]pyrazolo[5,4-b]pyridin-4-yl]oxyoxan-4-ol is sourced from PubChem (CID 178061654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).