5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C24H29N7O3 — CID 170657316

IUPAC5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC1(O)CCC(Nc2nc(OC)c3c(-c4ccn5ncc(C(=O)NC)c5c4)ccn3n2)CC1
InChIInChI=1S/C24H29N7O3/c1-4-24(33)9-5-16(6-10-24)27-23-28-22(34-3)20-17(8-12-31(20)29-23)15-7-11-30-19(13-15)18(14-26-30)21(32)25-2/h7-8,11-14,16,33H,4-6,9-10H2,1-3H3,(H,25,32)(H,27,29)
InChIKeyYSAUJPAERVJCDX-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.91
Rot. Bonds6

About 5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170657316) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170657316
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC1(O)CCC(Nc2nc(OC)c3c(-c4ccn5ncc(C(=O)NC)c5c4)ccn3n2)CC1
InChIInChI=1S/C24H29N7O3/c1-4-24(33)9-5-16(6-10-24)27-23-28-22(34-3)20-17(8-12-31(20)29-23)15-7-11-30-19(13-15)18(14-26-30)21(32)25-2/h7-8,11-14,16,33H,4-6,9-10H2,1-3H3,(H,25,32)(H,27,29)
InChIKeyYSAUJPAERVJCDX-UHFFFAOYSA-N
XLogP2.91
TPSA118.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 170657316) is 5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CCC1(O)CCC(Nc2nc(OC)c3c(-c4ccn5ncc(C(=O)NC)c5c4)ccn3n2)CC1.
What is the InChIKey of 5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is YSAUJPAERVJCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-4-24(33)9-5-16(6-10-24)27-23-28-22(34-3)20-17(8-12-31(20)29-23)15-7-11-30-19(13-15)18(14-26-30)21(32)25-2/h7-8,11-14,16,33H,4-6,9-10H2,1-3H3,(H,25,32)(H,27,29).
What are the key properties of 5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170657316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).