N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide

C25H32N4O4 — CID 134810042

IUPACN-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NC1CCC(O)CC1)nn2Cc1cccnc1
InChIInChI=1S/C25H32N4O4/c1-25(2,24(31)27-19-7-9-20(30)10-8-19)33-23-21-13-17(16-32-3)6-11-22(21)29(28-23)15-18-5-4-12-26-14-18/h4-6,11-14,19-20,30H,7-10,15-16H2,1-3H3,(H,27,31)
InChIKeyWYEVNRKJEGTLDZ-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.20
Rot. Bonds8

About N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide

N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide (PubChem CID 134810042) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide
PubChem CID134810042
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NC1CCC(O)CC1)nn2Cc1cccnc1
InChIInChI=1S/C25H32N4O4/c1-25(2,24(31)27-19-7-9-20(30)10-8-19)33-23-21-13-17(16-32-3)6-11-22(21)29(28-23)15-18-5-4-12-26-14-18/h4-6,11-14,19-20,30H,7-10,15-16H2,1-3H3,(H,27,31)
InChIKeyWYEVNRKJEGTLDZ-UHFFFAOYSA-N
XLogP3.20
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide (CID 134810042) is N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NC1CCC(O)CC1)nn2Cc1cccnc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide?
The InChIKey is WYEVNRKJEGTLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-25(2,24(31)27-19-7-9-20(30)10-8-19)33-23-21-13-17(16-32-3)6-11-22(21)29(28-23)15-18-5-4-12-26-14-18/h4-6,11-14,19-20,30H,7-10,15-16H2,1-3H3,(H,27,31).
What are the key properties of N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide?
N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide has a molecular weight of 452.56 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methylpropanamide is sourced from PubChem (CID 134810042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).