4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C24H26N8O2 — CID 71225343

IUPAC4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCN(Cc4ccncc4)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C24H26N8O2/c1-34-21-12-17(4-9-27-21)20-13-19(22-23(25)28-15-29-32(20)22)24(33)30-18-5-10-31(11-6-18)14-16-2-7-26-8-3-16/h2-4,7-9,12-13,15,18H,5-6,10-11,14H2,1H3,(H,30,33)(H2,25,28,29)
InChIKeyPOWIAYDTDIAGRU-UHFFFAOYSA-N
MW458.53 g/mol
LogP2.17
Rot. Bonds6

About 4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225343) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225343
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NC3CCN(Cc4ccncc4)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C24H26N8O2/c1-34-21-12-17(4-9-27-21)20-13-19(22-23(25)28-15-29-32(20)22)24(33)30-18-5-10-31(11-6-18)14-16-2-7-26-8-3-16/h2-4,7-9,12-13,15,18H,5-6,10-11,14H2,1H3,(H,30,33)(H2,25,28,29)
InChIKeyPOWIAYDTDIAGRU-UHFFFAOYSA-N
XLogP2.17
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide with MolForge

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Related Compounds

4-amino-7-(2-methoxy-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225066
4-amino-7-(2-methoxy-4-pyridinyl)-N-[(3R)-piperidin-3-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225176
4-amino-N-[4-[(2-cyanoacetyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225233
4-amino-N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225217
4-amino-7-(2-methoxy-4-pyridinyl)-N-(4-morpholin-4-ylcyclohexyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225265
4-amino-7-(2-methoxy-4-pyridinyl)-N-[4-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225283
N-[4-[[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]amino]cyclohexyl]thiadiazole-4-carboxamide
CID 53472630
4-amino-7-(2-methoxy-4-pyridinyl)-N-[4-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225116
4-amino-N-[(3-methoxyphenyl)methyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225557
1-[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-[4-[5-(methoxymethyl)-1H-pyrazol-3-yl]cyclohexyl]ethanone
CID 161075921
4-[(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)amino]butylcarbamic acid
CID 71225228
4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225010

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 71225343) is 4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is COc1cc(-c2cc(C(=O)NC3CCN(Cc4ccncc4)CC3)c3c(N)ncnn23)ccn1.
What is the InChIKey of 4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is POWIAYDTDIAGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-34-21-12-17(4-9-27-21)20-13-19(22-23(25)28-15-29-32(20)22)24(33)30-18-5-10-31(11-6-18)14-16-2-7-26-8-3-16/h2-4,7-9,12-13,15,18H,5-6,10-11,14H2,1H3,(H,30,33)(H2,25,28,29).
What are the key properties of 4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(2-methoxy-4-pyridinyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).