1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide

C20H27N9O — CID 163524731

IUPAC1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide
SMILESCn1cnc(Nc2nc(N3CCCC3C(=O)N[C@@H]3CCCNC3)nn3cccc23)c1
InChIInChI=1S/C20H27N9O/c1-27-12-17(22-13-27)24-18-15-6-4-10-29(15)26-20(25-18)28-9-3-7-16(28)19(30)23-14-5-2-8-21-11-14/h4,6,10,12-14,16,21H,2-3,5,7-9,11H2,1H3,(H,23,30)(H,24,25,26)/t14-,16?/m1/s1
InChIKeyDNUASLMQHCCCRO-IURRXHLWSA-N
MW409.50 g/mol
LogP1.04
Rot. Bonds5

About 1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide

1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 163524731) has the molecular formula C20H27N9O and a molecular weight of 409.50 g/mol. Its IUPAC name is 1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID163524731
Molecular FormulaC20H27N9O
Molecular Weight409.50 g/mol
Exact Mass409.23
IUPAC Name1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide
SMILESCn1cnc(Nc2nc(N3CCCC3C(=O)N[C@@H]3CCCNC3)nn3cccc23)c1
InChIInChI=1S/C20H27N9O/c1-27-12-17(22-13-27)24-18-15-6-4-10-29(15)26-20(25-18)28-9-3-7-16(28)19(30)23-14-5-2-8-21-11-14/h4,6,10,12-14,16,21H,2-3,5,7-9,11H2,1H3,(H,23,30)(H,24,25,26)/t14-,16?/m1/s1
InChIKeyDNUASLMQHCCCRO-IURRXHLWSA-N
XLogP1.04
TPSA104.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-[(2S)-1-[4-[(1-ethylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]-2-piperidin-3-ylethanone
CID 58277717
N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 142497938
1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[1-(oxan-4-yl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 76590918
N-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 163729061
[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
CID 137362700
N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 24824686
N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
CID 142498540
[(3R)-3-aminopyrrolidin-1-yl]-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanone
CID 71137948
2-[4-(cyclopropylmethylamino)cyclohexyl]-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]ethanone
CID 58277670
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 78030389
N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 137362642
N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 142498660

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide (CID 163524731) is 1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide is Cn1cnc(Nc2nc(N3CCCC3C(=O)N[C@@H]3CCCNC3)nn3cccc23)c1.
What is the InChIKey of 1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is DNUASLMQHCCCRO-IURRXHLWSA-N. The full InChI is InChI=1S/C20H27N9O/c1-27-12-17(22-13-27)24-18-15-6-4-10-29(15)26-20(25-18)28-9-3-7-16(28)19(30)23-14-5-2-8-21-11-14/h4,6,10,12-14,16,21H,2-3,5,7-9,11H2,1H3,(H,23,30)(H,24,25,26)/t14-,16?/m1/s1.
What are the key properties of 1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide?
1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 409.50 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 163524731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).