4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C18H20N6O2 — CID 71225108

IUPAC4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNc1ncnn2c(-c3ccncc3)cc(C(=O)NC3CCC(O)CC3)c12
InChIInChI=1S/C18H20N6O2/c19-17-16-14(18(26)23-12-1-3-13(25)4-2-12)9-15(24(16)22-10-21-17)11-5-7-20-8-6-11/h5-10,12-13,25H,1-4H2,(H,23,26)(H2,19,21,22)
InChIKeyNVXDRDUPNNZETN-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.41
Rot. Bonds3

About 4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225108) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225108
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNc1ncnn2c(-c3ccncc3)cc(C(=O)NC3CCC(O)CC3)c12
InChIInChI=1S/C18H20N6O2/c19-17-16-14(18(26)23-12-1-3-13(25)4-2-12)9-15(24(16)22-10-21-17)11-5-7-20-8-6-11/h5-10,12-13,25H,1-4H2,(H,23,26)(H2,19,21,22)
InChIKeyNVXDRDUPNNZETN-UHFFFAOYSA-N
XLogP1.41
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide with MolForge

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Related Compounds

GSK-3|A inhibitor 13
CID 134551592
3-[(6-Benzoyl-5-Methylpyrrolo[2,1-F][1,2,4]triazin-4-Yl)amino]-N-Cyclopropyl-4-Methylbenzamide
CID 10048045
Sdccggsk-0000274.P001
CID 10272700
4-{[5-(Methoxycarbamoyl)-2-Methylphenyl]amino}-5-Methyl-N-[(1s)-1-Phenylethyl]pyrrolo[2,1-F][1,2,4]triazine-6-Carboxamide
CID 10276213
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328252
(4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide
CID 134551721
1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-phenylurea
CID 16739794
4-amino-N-[3-[[(4-methylphenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518503
US10774086, Example 7
CID 134551551
US10774086, Example 2
CID 134551579
US10774086, Example 9
CID 134551591
US10774086, Example 30
CID 134551973

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 71225108) is 4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is Nc1ncnn2c(-c3ccncc3)cc(C(=O)NC3CCC(O)CC3)c12.
What is the InChIKey of 4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is NVXDRDUPNNZETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c19-17-16-14(18(26)23-12-1-3-13(25)4-2-12)9-15(24(16)22-10-21-17)11-5-7-20-8-6-11/h5-10,12-13,25H,1-4H2,(H,23,26)(H2,19,21,22).
What are the key properties of 4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).