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

C22H24ClN7O — CID 178061518

IUPAC6-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
SMILESC[C@@H]1COC[C@H]1Nc1cc(Nc2cc(-c3cccc(Cl)c3)nn2C)nc2c1cnn2C
InChIInChI=1S/C22H24ClN7O/c1-13-11-31-12-19(13)25-18-8-20(27-22-16(18)10-24-30(22)3)26-21-9-17(28-29(21)2)14-5-4-6-15(23)7-14/h4-10,13,19H,11-12H2,1-3H3,(H2,25,26,27)/t13-,19-/m1/s1
InChIKeyPZXKCEZCTMUTAJ-BFUOFWGJSA-N
MW437.94 g/mol
LogP4.21
Rot. Bonds5

About 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

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 (PubChem CID 178061518) has the molecular formula C22H24ClN7O and a molecular weight of 437.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID178061518
Molecular FormulaC22H24ClN7O
Molecular Weight437.94 g/mol
Exact Mass437.17
IUPAC Name6-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
SMILESC[C@@H]1COC[C@H]1Nc1cc(Nc2cc(-c3cccc(Cl)c3)nn2C)nc2c1cnn2C
InChIInChI=1S/C22H24ClN7O/c1-13-11-31-12-19(13)25-18-8-20(27-22-16(18)10-24-30(22)3)26-21-9-17(28-29(21)2)14-5-4-6-15(23)7-14/h4-10,13,19H,11-12H2,1-3H3,(H2,25,26,27)/t13-,19-/m1/s1
InChIKeyPZXKCEZCTMUTAJ-BFUOFWGJSA-N
XLogP4.21
TPSA81.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.94
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
[(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
(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
(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
4-N-cyclopentyl-1-methyl-6-N-[1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-6-yl)pyrazol-5-yl]pyrazolo[5,4-b]pyridine-4,6-diamine
CID 178061684
N-[3-(3,5-dimethylphenyl)-1-methylpyrazol-5-yl]-4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-amine
CID 178061666
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
5-bromo-3-(3-chlorophenyl)-1-methylpyrazole
CID 84713065
N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794202

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1COC[C@H]1Nc1cc(Nc2cc(-c3cccc(Cl)c3)nn2C)nc2c1cnn2C.
What is the InChIKey of 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?
The InChIKey is PZXKCEZCTMUTAJ-BFUOFWGJSA-N. The full InChI is InChI=1S/C22H24ClN7O/c1-13-11-31-12-19(13)25-18-8-20(27-22-16(18)10-24-30(22)3)26-21-9-17(28-29(21)2)14-5-4-6-15(23)7-14/h4-10,13,19H,11-12H2,1-3H3,(H2,25,26,27)/t13-,19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 437.94 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178061518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).