1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine

C36H43N9 — CID 159209614

IUPAC1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)CCN2C.Cc1cnc2c(c1)c(C)cn2C.Cc1cnc2c(ccn2C)c1.Cc1cnc2c(cnn2C)c1
InChIInChI=1S/C10H12N2.C9H12N2.C9H10N2.C8H9N3/c1-7-4-9-8(2)6-12(3)10(9)11-5-7;2*1-7-5-8-3-4-11(2)9(8)10-6-7;1-6-3-7-5-10-11(2)8(7)9-4-6/h4-6H,1-3H3;5-6H,3-4H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyKQICRKODSADKDQ-UHFFFAOYSA-N
MW601.80 g/mol
LogP6.73
Rot. Bonds

About 1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine

1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine (PubChem CID 159209614) has the molecular formula C36H43N9 and a molecular weight of 601.80 g/mol. Its IUPAC name is 1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine
PubChem CID159209614
Molecular FormulaC36H43N9
Molecular Weight601.80 g/mol
Exact Mass601.36
IUPAC Name1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)CCN2C.Cc1cnc2c(c1)c(C)cn2C.Cc1cnc2c(ccn2C)c1.Cc1cnc2c(cnn2C)c1
InChIInChI=1S/C10H12N2.C9H12N2.C9H10N2.C8H9N3/c1-7-4-9-8(2)6-12(3)10(9)11-5-7;2*1-7-5-8-3-4-11(2)9(8)10-6-7;1-6-3-7-5-10-11(2)8(7)9-4-6/h4-6H,1-3H3;5-6H,3-4H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyKQICRKODSADKDQ-UHFFFAOYSA-N
XLogP6.73
TPSA82.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.80
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine 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

Savolitinib
CID 68289010
PF-04981517
CID 71315139
1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane
CID 327606
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
7,8-Dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72704706
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 156138327
4-[6-(Pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329454
4-[(1E)-(2-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}hydrazin-1-ylidene)methyl]pyridine
CID 91226622

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine (CID 159209614) is 1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine is Cc1cnc2c(c1)CCN2C.Cc1cnc2c(c1)c(C)cn2C.Cc1cnc2c(ccn2C)c1.Cc1cnc2c(cnn2C)c1.
What is the InChIKey of 1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine?
The InChIKey is KQICRKODSADKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C9H12N2.C9H10N2.C8H9N3/c1-7-4-9-8(2)6-12(3)10(9)11-5-7;2*1-7-5-8-3-4-11(2)9(8)10-6-7;1-6-3-7-5-10-11(2)8(7)9-4-6/h4-6H,1-3H3;5-6H,3-4H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine?
1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine has a molecular weight of 601.80 g/mol, XLogP of 6.73, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine;1,5-dimethylpyrazolo[5,4-b]pyridine;1,5-dimethylpyrrolo[2,3-b]pyridine;1,3,5-trimethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159209614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).