2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide

C24H36N4O2 — CID 134809742

IUPAC2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)Oc1nn(CC2CC2)c2ccc(CN3CCCC3)cc12
InChIInChI=1S/C24H36N4O2/c1-17(2)14-25-23(29)24(3,4)30-22-20-13-19(15-27-11-5-6-12-27)9-10-21(20)28(26-22)16-18-7-8-18/h9-10,13,17-18H,5-8,11-12,14-16H2,1-4H3,(H,25,29)
InChIKeyKAPPAPXHQYLBLK-UHFFFAOYSA-N
MW412.58 g/mol
LogP3.97
Rot. Bonds9

About 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide

2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 134809742) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID134809742
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)Oc1nn(CC2CC2)c2ccc(CN3CCCC3)cc12
InChIInChI=1S/C24H36N4O2/c1-17(2)14-25-23(29)24(3,4)30-22-20-13-19(15-27-11-5-6-12-27)9-10-21(20)28(26-22)16-18-7-8-18/h9-10,13,17-18H,5-8,11-12,14-16H2,1-4H3,(H,25,29)
InChIKeyKAPPAPXHQYLBLK-UHFFFAOYSA-N
XLogP3.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide (CID 134809742) is 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)(C)Oc1nn(CC2CC2)c2ccc(CN3CCCC3)cc12.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is KAPPAPXHQYLBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-17(2)14-25-23(29)24(3,4)30-22-20-13-19(15-27-11-5-6-12-27)9-10-21(20)28(26-22)16-18-7-8-18/h9-10,13,17-18H,5-8,11-12,14-16H2,1-4H3,(H,25,29).
What are the key properties of 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide?
2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 412.58 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 134809742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).