methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate

C25H28N10O2 — CID 135195588

IUPACmethyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(c2cn(-c3cnc(-n4ncc5cc(C#N)cnc54)cc3NC(C)C)nn2)CC1
InChIInChI=1S/C25H28N10O2/c1-15(2)30-20-9-23(35-24-18(12-29-35)8-16(10-26)11-28-24)27-13-22(20)34-14-21(32-33-34)17-4-6-19(7-5-17)31-25(36)37-3/h8-9,11-15,17,19H,4-7H2,1-3H3,(H,27,30)(H,31,36)
InChIKeyKZBNMJSLWKEIOT-UHFFFAOYSA-N
MW500.57 g/mol
LogP3.47
Rot. Bonds6

About methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate

methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate (PubChem CID 135195588) has the molecular formula C25H28N10O2 and a molecular weight of 500.57 g/mol. Its IUPAC name is methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate
PubChem CID135195588
Molecular FormulaC25H28N10O2
Molecular Weight500.57 g/mol
Exact Mass500.24
IUPAC Namemethyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(c2cn(-c3cnc(-n4ncc5cc(C#N)cnc54)cc3NC(C)C)nn2)CC1
InChIInChI=1S/C25H28N10O2/c1-15(2)30-20-9-23(35-24-18(12-29-35)8-16(10-26)11-28-24)27-13-22(20)34-14-21(32-33-34)17-4-6-19(7-5-17)31-25(36)37-3/h8-9,11-15,17,19H,4-7H2,1-3H3,(H,27,30)(H,31,36)
InChIKeyKZBNMJSLWKEIOT-UHFFFAOYSA-N
XLogP3.47
TPSA148.46 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.57
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl 4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]piperidine-1-carboxylate
CID 135185369
acetic acid;1-[4-(cyclopentylamino)-5-[4-[4-(hydroxymethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 174174938
1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 170737635
1-[5-[4-(2-isocyanoethyl)triazol-1-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 140883104
[4-[1-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamic acid
CID 146345399
1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 145219191
1-[5-[4-[1-(3-hydroxy-3-methylbutanoyl)-3,6-dihydro-2H-pyridin-4-yl]triazol-1-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 139334247
6-amino-1-[4-[[(1R)-1-cyanoethyl]amino]-5-(4-cyclohexyltriazol-1-yl)-2-pyridinyl]pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 171406434
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206589
1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[(2R,6R)-4-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-dimethylpiperazin-1-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406874
1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-[2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxyphenyl]piperazin-1-yl]ethyl]cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406823
6-amino-1-[4-[[(1R)-1-cyanoethyl]amino]-5-[4-[4-(2-oxoethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 171406467

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate (CID 135195588) is methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate is COC(=O)NC1CCC(c2cn(-c3cnc(-n4ncc5cc(C#N)cnc54)cc3NC(C)C)nn2)CC1.
What is the InChIKey of methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate?
The InChIKey is KZBNMJSLWKEIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N10O2/c1-15(2)30-20-9-23(35-24-18(12-29-35)8-16(10-26)11-28-24)27-13-22(20)34-14-21(32-33-34)17-4-6-19(7-5-17)31-25(36)37-3/h8-9,11-15,17,19H,4-7H2,1-3H3,(H,27,30)(H,31,36).
What are the key properties of methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate?
methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate has a molecular weight of 500.57 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[1-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(propan-2-ylamino)-3-pyridinyl]triazol-4-yl]cyclohexyl]carbamate is sourced from PubChem (CID 135195588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).