1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine

C24H27N7 — CID 72715045

IUPAC1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine
SMILESCC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)c1
InChIInChI=1S/C24H27N7/c1-17(2)18-11-19(14-26-13-18)21-12-22-20(15-27-21)16-28-31(22)24-6-3-5-23(29-24)30-9-4-7-25-8-10-30/h3,5-6,11-17,25H,4,7-10H2,1-2H3
InChIKeyBKZIXMFZEWLONB-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.80
Rot. Bonds4

About 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine

1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine (PubChem CID 72715045) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine
PubChem CID72715045
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine
SMILESCC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)c1
InChIInChI=1S/C24H27N7/c1-17(2)18-11-19(14-26-13-18)21-12-22-20(15-27-21)16-28-31(22)24-6-3-5-23(29-24)30-9-4-7-25-8-10-30/h3,5-6,11-17,25H,4,7-10H2,1-2H3
InChIKeyBKZIXMFZEWLONB-UHFFFAOYSA-N
XLogP3.80
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]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

Avapritinib
CID 118023034
N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Ldn-212854
CID 60182388
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine (CID 72715045) is 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine is CC(C)c1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)c1.
What is the InChIKey of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine?
The InChIKey is BKZIXMFZEWLONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-17(2)18-11-19(14-26-13-18)21-12-22-20(15-27-21)16-28-31(22)24-6-3-5-23(29-24)30-9-4-7-25-8-10-30/h3,5-6,11-17,25H,4,7-10H2,1-2H3.
What are the key properties of 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine?
1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine has a molecular weight of 413.53 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(5-propan-2-yl-3-pyridinyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 72715045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).