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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-amine

C27H35N7O2S — CID 138686488

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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-amine
SMILESCc1c(-c2[nH]c3ccc(N4CCC(NCC5(S(C)(=O)=O)CC5)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H35N7O2S/c1-16(2)23-24(20-13-34-26(29-15-30-34)18(4)17(20)3)31-21-6-7-22(32-25(21)23)33-11-8-19(12-33)28-14-27(9-10-27)37(5,35)36/h6-7,13,15-16,19,28,31H,8-12,14H2,1-5H3
InChIKeyUZRIHMSILZVTPI-UHFFFAOYSA-N
MW521.69 g/mol
LogP3.76
Rot. Bonds7

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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-amine (PubChem CID 138686488) has the molecular formula C27H35N7O2S and a molecular weight of 521.69 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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-amine
PubChem CID138686488
Molecular FormulaC27H35N7O2S
Molecular Weight521.69 g/mol
Exact Mass521.26
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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-amine
SMILESCc1c(-c2[nH]c3ccc(N4CCC(NCC5(S(C)(=O)=O)CC5)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H35N7O2S/c1-16(2)23-24(20-13-34-26(29-15-30-34)18(4)17(20)3)31-21-6-7-22(32-25(21)23)33-11-8-19(12-33)28-14-27(9-10-27)37(5,35)36/h6-7,13,15-16,19,28,31H,8-12,14H2,1-5H3
InChIKeyUZRIHMSILZVTPI-UHFFFAOYSA-N
XLogP3.76
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.69
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-amine (CID 138686488) 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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-amine is Cc1c(-c2[nH]c3ccc(N4CCC(NCC5(S(C)(=O)=O)CC5)C4)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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-amine?
The InChIKey is UZRIHMSILZVTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2S/c1-16(2)23-24(20-13-34-26(29-15-30-34)18(4)17(20)3)31-21-6-7-22(32-25(21)23)33-11-8-19(12-33)28-14-27(9-10-27)37(5,35)36/h6-7,13,15-16,19,28,31H,8-12,14H2,1-5H3.
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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-amine has a molecular weight of 521.69 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 138686488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).