1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide

C27H27N7O2 — CID 176965669

IUPAC1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide
SMILESCc1cc2c(C(N)=O)cccc2n1-c1nc(NCc2ccccc2)c2ccc([C@H]3CNCCO3)n2n1
InChIInChI=1S/C27H27N7O2/c1-17-14-20-19(25(28)35)8-5-9-21(20)33(17)27-31-26(30-15-18-6-3-2-4-7-18)23-11-10-22(34(23)32-27)24-16-29-12-13-36-24/h2-11,14,24,29H,12-13,15-16H2,1H3,(H2,28,35)(H,30,31,32)/t24-/m1/s1
InChIKeyZSGPVSPLFKTGTF-XMMPIXPASA-N
MW481.56 g/mol
LogP3.35
Rot. Bonds6

About 1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide

1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide (PubChem CID 176965669) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide
PubChem CID176965669
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide
SMILESCc1cc2c(C(N)=O)cccc2n1-c1nc(NCc2ccccc2)c2ccc([C@H]3CNCCO3)n2n1
InChIInChI=1S/C27H27N7O2/c1-17-14-20-19(25(28)35)8-5-9-21(20)33(17)27-31-26(30-15-18-6-3-2-4-7-18)23-11-10-22(34(23)32-27)24-16-29-12-13-36-24/h2-11,14,24,29H,12-13,15-16H2,1H3,(H2,28,35)(H,30,31,32)/t24-/m1/s1
InChIKeyZSGPVSPLFKTGTF-XMMPIXPASA-N
XLogP3.35
TPSA111.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide 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 1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide?
The IUPAC name of 1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide (CID 176965669) is 1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide.
What is the SMILES notation for 1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide?
The canonical SMILES for 1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide is Cc1cc2c(C(N)=O)cccc2n1-c1nc(NCc2ccccc2)c2ccc([C@H]3CNCCO3)n2n1.
What is the InChIKey of 1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide?
The InChIKey is ZSGPVSPLFKTGTF-XMMPIXPASA-N. The full InChI is InChI=1S/C27H27N7O2/c1-17-14-20-19(25(28)35)8-5-9-21(20)33(17)27-31-26(30-15-18-6-3-2-4-7-18)23-11-10-22(34(23)32-27)24-16-29-12-13-36-24/h2-11,14,24,29H,12-13,15-16H2,1H3,(H2,28,35)(H,30,31,32)/t24-/m1/s1.
What are the key properties of 1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide?
1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-7-[(2R)-morpholin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylindole-4-carboxamide is sourced from PubChem (CID 176965669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).