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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine

C27H33N9S — CID 138686802

IUPAC1-[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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
SMILESCc1c(-c2[nH]c3ccc(N4CCC(N(C)Cc5csnn5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H33N9S/c1-16(2)24-25(21-13-36-27(28-15-29-36)18(4)17(21)3)30-22-6-7-23(31-26(22)24)35-10-8-20(9-11-35)34(5)12-19-14-37-33-32-19/h6-7,13-16,20,30H,8-12H2,1-5H3
InChIKeyGHHUZFPSXKIEGW-UHFFFAOYSA-N
MW515.69 g/mol
LogP4.97
Rot. Bonds6

About 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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine

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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine (PubChem CID 138686802) has the molecular formula C27H33N9S and a molecular weight of 515.69 g/mol. Its IUPAC name is 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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
PubChem CID138686802
Molecular FormulaC27H33N9S
Molecular Weight515.69 g/mol
Exact Mass515.26
IUPAC Name1-[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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
SMILESCc1c(-c2[nH]c3ccc(N4CCC(N(C)Cc5csnn5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H33N9S/c1-16(2)24-25(21-13-36-27(28-15-29-36)18(4)17(21)3)30-22-6-7-23(31-26(22)24)35-10-8-20(9-11-35)34(5)12-19-14-37-33-32-19/h6-7,13-16,20,30H,8-12H2,1-5H3
InChIKeyGHHUZFPSXKIEGW-UHFFFAOYSA-N
XLogP4.97
TPSA91.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.69
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine (CID 138686802) is 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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine is Cc1c(-c2[nH]c3ccc(N4CCC(N(C)Cc5csnn5)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is GHHUZFPSXKIEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9S/c1-16(2)24-25(21-13-36-27(28-15-29-36)18(4)17(21)3)30-22-6-7-23(31-26(22)24)35-10-8-20(9-11-35)34(5)12-19-14-37-33-32-19/h6-7,13-16,20,30H,8-12H2,1-5H3.
What are the key properties of 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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine?
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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine has a molecular weight of 515.69 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-N-methyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 138686802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).