N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

C29H36F5N9 — CID 130283225

IUPACN-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
SMILESCc1nn(C)c2nc(N(CC3CCC3)CC3CC3)c(CN(Cc3cc(C(F)F)cc(C(F)(F)F)c3)C3=NNN(C)N3)cc12
InChIInChI=1S/C29H36F5N9/c1-17-24-12-22(26(35-27(24)40(2)37-17)42(14-19-7-8-19)13-18-5-4-6-18)16-43(28-36-39-41(3)38-28)15-20-9-21(25(30)31)11-23(10-20)29(32,33)34/h9-12,18-19,25,39H,4-8,13-16H2,1-3H3,(H,36,38)
InChIKeyHYPKPZBMHPFNJP-UHFFFAOYSA-N
MW605.66 g/mol
LogP5.48
Rot. Bonds10

About N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine

N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 130283225) has the molecular formula C29H36F5N9 and a molecular weight of 605.66 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
PubChem CID130283225
Molecular FormulaC29H36F5N9
Molecular Weight605.66 g/mol
Exact Mass605.30
IUPAC NameN-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
SMILESCc1nn(C)c2nc(N(CC3CCC3)CC3CC3)c(CN(Cc3cc(C(F)F)cc(C(F)(F)F)c3)C3=NNN(C)N3)cc12
InChIInChI=1S/C29H36F5N9/c1-17-24-12-22(26(35-27(24)40(2)37-17)42(14-19-7-8-19)13-18-5-4-6-18)16-43(28-36-39-41(3)38-28)15-20-9-21(25(30)31)11-23(10-20)29(32,33)34/h9-12,18-19,25,39H,4-8,13-16H2,1-3H3,(H,36,38)
InChIKeyHYPKPZBMHPFNJP-UHFFFAOYSA-N
XLogP5.48
TPSA76.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.66
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidine-5-carboxylic acid
CID 71539738
N-[[6-(1-amino-3-cyclobutylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 57444379
N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide
CID 118642730
5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
CID 57444428
5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(2,2-dimethylpropyl)-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine
CID 11707017
1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methyl-5-[[[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]pyrazolo[5,4-b]pyridin-6-amine
CID 118642741
5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(1,2-oxazol-3-yl)pyrimidin-2-yl]amino]methyl]-1-tert-butyl-N,N-bis(cyclopropylmethyl)-3-methylpyrazolo[5,4-b]pyridin-6-amine
CID 71539568
(E)-1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-(dimethylamino)prop-2-en-1-one
CID 118642739
[6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[(3,4,5-trifluorophenyl)methyl]cyanamide
CID 57444436
2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-4-ethylpyrimidine-5-carboxylic acid
CID 89480483
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyltetrazol-5-amine
CID 57486811
3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyl-1,2,3-triaza-4-azanidacyclopent-5-en-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-6-fluoropyridin-2-amine
CID 163568664

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The IUPAC name of N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine (CID 130283225) is N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is Cc1nn(C)c2nc(N(CC3CCC3)CC3CC3)c(CN(Cc3cc(C(F)F)cc(C(F)(F)F)c3)C3=NNN(C)N3)cc12.
What is the InChIKey of N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is HYPKPZBMHPFNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F5N9/c1-17-24-12-22(26(35-27(24)40(2)37-17)42(14-19-7-8-19)13-18-5-4-6-18)16-43(28-36-39-41(3)38-28)15-20-9-21(25(30)31)11-23(10-20)29(32,33)34/h9-12,18-19,25,39H,4-8,13-16H2,1-3H3,(H,36,38).
What are the key properties of N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine?
N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 605.66 g/mol, XLogP of 5.48, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-(cyclopropylmethyl)-5-[[[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]methyl-(2-methyl-1,3-dihydrotetrazol-5-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 130283225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).