3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide

C28H40N8O — CID 138725610

IUPAC3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide
SMILESCc1c(-c2[nH]c3ccc(N[C@H](C)CC(C)NCCC(=O)N(C)C)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H40N8O/c1-16(2)25-26(21-14-36-28(30-15-31-36)20(6)19(21)5)33-22-9-10-23(34-27(22)25)32-18(4)13-17(3)29-12-11-24(37)35(7)8/h9-10,14-18,29,33H,11-13H2,1-8H3,(H,32,34)/t17?,18-/m1/s1
InChIKeyVHLVWDZSYNTHDB-QRWMCTBCSA-N
MW504.68 g/mol
LogP4.66
Rot. Bonds10

About 3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide

3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide (PubChem CID 138725610) has the molecular formula C28H40N8O and a molecular weight of 504.68 g/mol. Its IUPAC name is 3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide
PubChem CID138725610
Molecular FormulaC28H40N8O
Molecular Weight504.68 g/mol
Exact Mass504.33
IUPAC Name3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide
SMILESCc1c(-c2[nH]c3ccc(N[C@H](C)CC(C)NCCC(=O)N(C)C)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H40N8O/c1-16(2)25-26(21-14-36-28(30-15-31-36)20(6)19(21)5)33-22-9-10-23(34-27(22)25)32-18(4)13-17(3)29-12-11-24(37)35(7)8/h9-10,14-18,29,33H,11-13H2,1-8H3,(H,32,34)/t17?,18-/m1/s1
InChIKeyVHLVWDZSYNTHDB-QRWMCTBCSA-N
XLogP4.66
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.68
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide (CID 138725610) is 3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide is Cc1c(-c2[nH]c3ccc(N[C@H](C)CC(C)NCCC(=O)N(C)C)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is VHLVWDZSYNTHDB-QRWMCTBCSA-N. The full InChI is InChI=1S/C28H40N8O/c1-16(2)25-26(21-14-36-28(30-15-31-36)20(6)19(21)5)33-22-9-10-23(34-27(22)25)32-18(4)13-17(3)29-12-11-24(37)35(7)8/h9-10,14-18,29,33H,11-13H2,1-8H3,(H,32,34)/t17?,18-/m1/s1.
What are the key properties of 3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide?
3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 504.68 g/mol, XLogP of 4.66, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4R)-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]amino]pentan-2-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 138725610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).