7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C27H33N7O — CID 138686813

IUPAC7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(N4C[C@@H]5C[C@H]4CN5C4CCOC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H33N7O/c1-15(2)24-25(21-12-34-27(28-14-29-34)17(4)16(21)3)30-22-5-6-23(31-26(22)24)33-11-19-9-20(33)10-32(19)18-7-8-35-13-18/h5-6,12,14-15,18-20,30H,7-11,13H2,1-4H3/t18?,19-,20-/m0/s1
InChIKeyNBMWQZHMHRZXIA-YPJRHXLCSA-N
MW471.61 g/mol
LogP4.06
Rot. Bonds4

About 7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138686813) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138686813
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2[nH]c3ccc(N4C[C@@H]5C[C@H]4CN5C4CCOC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H33N7O/c1-15(2)24-25(21-12-34-27(28-14-29-34)17(4)16(21)3)30-22-5-6-23(31-26(22)24)33-11-19-9-20(33)10-32(19)18-7-8-35-13-18/h5-6,12,14-15,18-20,30H,7-11,13H2,1-4H3/t18?,19-,20-/m0/s1
InChIKeyNBMWQZHMHRZXIA-YPJRHXLCSA-N
XLogP4.06
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138686813) is 7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2[nH]c3ccc(N4C[C@@H]5C[C@H]4CN5C4CCOC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NBMWQZHMHRZXIA-YPJRHXLCSA-N. The full InChI is InChI=1S/C27H33N7O/c1-15(2)24-25(21-12-34-27(28-14-29-34)17(4)16(21)3)30-22-5-6-23(31-26(22)24)33-11-19-9-20(33)10-32(19)18-7-8-35-13-18/h5-6,12,14-15,18-20,30H,7-11,13H2,1-4H3/t18?,19-,20-/m0/s1.
What are the key properties of 7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 471.61 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-6-[5-[(1S,4S)-5-(oxolan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138686813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).