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

C22H29F3N4O2 — CID 134806428

IUPAC2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Oc1nn(CC2CC2)c2ccc(CN3CCCC3)cc12)C(=O)NCC(F)(F)F
InChIInChI=1S/C22H29F3N4O2/c1-21(2,20(30)26-14-22(23,24)25)31-19-17-11-16(12-28-9-3-4-10-28)7-8-18(17)29(27-19)13-15-5-6-15/h7-8,11,15H,3-6,9-10,12-14H2,1-2H3,(H,26,30)
InChIKeyGTWNRQMSXMRVNT-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.88
Rot. Bonds8

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

2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 134806428) has the molecular formula C22H29F3N4O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID134806428
Molecular FormulaC22H29F3N4O2
Molecular Weight438.49 g/mol
Exact Mass438.22
IUPAC Name2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Oc1nn(CC2CC2)c2ccc(CN3CCCC3)cc12)C(=O)NCC(F)(F)F
InChIInChI=1S/C22H29F3N4O2/c1-21(2,20(30)26-14-22(23,24)25)31-19-17-11-16(12-28-9-3-4-10-28)7-8-18(17)29(27-19)13-15-5-6-15/h7-8,11,15H,3-6,9-10,12-14H2,1-2H3,(H,26,30)
InChIKeyGTWNRQMSXMRVNT-UHFFFAOYSA-N
XLogP3.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.88
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-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 134806428) is 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)(Oc1nn(CC2CC2)c2ccc(CN3CCCC3)cc12)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GTWNRQMSXMRVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N4O2/c1-21(2,20(30)26-14-22(23,24)25)31-19-17-11-16(12-28-9-3-4-10-28)7-8-18(17)29(27-19)13-15-5-6-15/h7-8,11,15H,3-6,9-10,12-14H2,1-2H3,(H,26,30).
What are the key properties of 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 438.49 g/mol, XLogP of 3.88, 8 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-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 134806428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).