3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one

C28H38N8O — CID 138686415

IUPAC3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one
SMILESCc1c(-c2[nH]c3ccc(N4CCN(C(=O)CCN(C)C)C[C@@H]4C)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H38N8O/c1-17(2)25-26(21-15-36-28(29-16-30-36)20(5)19(21)4)31-22-8-9-23(32-27(22)25)35-13-12-34(14-18(35)3)24(37)10-11-33(6)7/h8-9,15-18,31H,10-14H2,1-7H3/t18-/m0/s1
InChIKeyWYXMBEZLMTYGQI-SFHVURJKSA-N
MW502.67 g/mol
LogP4.00
Rot. Bonds6

About 3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one

3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one (PubChem CID 138686415) has the molecular formula C28H38N8O and a molecular weight of 502.67 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one
PubChem CID138686415
Molecular FormulaC28H38N8O
Molecular Weight502.67 g/mol
Exact Mass502.32
IUPAC Name3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one
SMILESCc1c(-c2[nH]c3ccc(N4CCN(C(=O)CCN(C)C)C[C@@H]4C)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H38N8O/c1-17(2)25-26(21-15-36-28(29-16-30-36)20(5)19(21)4)31-22-8-9-23(32-27(22)25)35-13-12-34(14-18(35)3)24(37)10-11-33(6)7/h8-9,15-18,31H,10-14H2,1-7H3/t18-/m0/s1
InChIKeyWYXMBEZLMTYGQI-SFHVURJKSA-N
XLogP4.00
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.67
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one 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 3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one (CID 138686415) is 3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one is Cc1c(-c2[nH]c3ccc(N4CCN(C(=O)CCN(C)C)C[C@@H]4C)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one?
The InChIKey is WYXMBEZLMTYGQI-SFHVURJKSA-N. The full InChI is InChI=1S/C28H38N8O/c1-17(2)25-26(21-15-36-28(29-16-30-36)20(5)19(21)4)31-22-8-9-23(32-27(22)25)35-13-12-34(14-18(35)3)24(37)10-11-33(6)7/h8-9,15-18,31H,10-14H2,1-7H3/t18-/m0/s1.
What are the key properties of 3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one?
3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one has a molecular weight of 502.67 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[(3S)-4-[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]-3-methylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 138686415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).