N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine

C27H35N7 — CID 138686272

IUPACN-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine
SMILESCc1c(-c2[nH]c3ccc(N4CCC(NC5CCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H35N7/c1-16(2)24-25(21-14-34-27(28-15-29-34)18(4)17(21)3)31-22-8-9-23(32-26(22)24)33-12-10-20(11-13-33)30-19-6-5-7-19/h8-9,14-16,19-20,30-31H,5-7,10-13H2,1-4H3
InChIKeyRCWIWLSZAWKGKY-UHFFFAOYSA-N
MW457.63 g/mol
LogP5.12
Rot. Bonds5

About N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine

N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine (PubChem CID 138686272) has the molecular formula C27H35N7 and a molecular weight of 457.63 g/mol. Its IUPAC name is N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine
PubChem CID138686272
Molecular FormulaC27H35N7
Molecular Weight457.63 g/mol
Exact Mass457.30
IUPAC NameN-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine
SMILESCc1c(-c2[nH]c3ccc(N4CCC(NC5CCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H35N7/c1-16(2)24-25(21-14-34-27(28-15-29-34)18(4)17(21)3)31-22-8-9-23(32-26(22)24)33-12-10-20(11-13-33)30-19-6-5-7-19/h8-9,14-16,19-20,30-31H,5-7,10-13H2,1-4H3
InChIKeyRCWIWLSZAWKGKY-UHFFFAOYSA-N
XLogP5.12
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.63
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-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

Avapritinib
CID 118023034
Savolitinib
CID 68289010
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
Vactosertib
CID 54766013
PP121
CID 24905142
Afimetoran
CID 132271862
Amredobresib
CID 76072013
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-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine?
The IUPAC name of N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine (CID 138686272) is N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine.
What is the SMILES notation for N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine?
The canonical SMILES for N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine is Cc1c(-c2[nH]c3ccc(N4CCC(NC5CCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine?
The InChIKey is RCWIWLSZAWKGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7/c1-16(2)24-25(21-14-34-27(28-15-29-34)18(4)17(21)3)31-22-8-9-23(32-26(22)24)33-12-10-20(11-13-33)30-19-6-5-7-19/h8-9,14-16,19-20,30-31H,5-7,10-13H2,1-4H3.
What are the key properties of N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine?
N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine has a molecular weight of 457.63 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-4-amine is sourced from PubChem (CID 138686272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).