N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide

C21H20F3N5O4 — CID 170602684

IUPACN-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide
SMILESCn1nc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1(CO)CCNC1=O
InChIInChI=1S/C21H20F3N5O4/c1-29-16(18(31)27-20(11-30)6-8-26-19(20)32)14-9-13(4-5-15(14)28-29)33-10-12-3-2-7-25-17(12)21(22,23)24/h2-5,7,9,30H,6,8,10-11H2,1H3,(H,26,32)(H,27,31)
InChIKeyBGQSODMQUCCZBU-UHFFFAOYSA-N
MW463.42 g/mol
LogP1.55
Rot. Bonds6

About N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide

N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide (PubChem CID 170602684) has the molecular formula C21H20F3N5O4 and a molecular weight of 463.42 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide
PubChem CID170602684
Molecular FormulaC21H20F3N5O4
Molecular Weight463.42 g/mol
Exact Mass463.15
IUPAC NameN-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide
SMILESCn1nc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1(CO)CCNC1=O
InChIInChI=1S/C21H20F3N5O4/c1-29-16(18(31)27-20(11-30)6-8-26-19(20)32)14-9-13(4-5-15(14)28-29)33-10-12-3-2-7-25-17(12)21(22,23)24/h2-5,7,9,30H,6,8,10-11H2,1H3,(H,26,32)(H,27,31)
InChIKeyBGQSODMQUCCZBU-UHFFFAOYSA-N
XLogP1.55
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]indazole-3-carboxamide
CID 170602871
5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide
CID 170602911
N-[1-(2-hydroxyethyl)cyclobutyl]-2-methyl-5-phenylmethoxyindazole-3-carboxamide
CID 170602534
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]indazole-3-carboxamide
CID 170602682
N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380438
methyl 5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1H-indazole-3-carboxylate
CID 170602810
N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide
CID 163381033
2-[2-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyliminoacetamide
CID 170417941
ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380526
2-methyl-5-phenylmethoxyindazole-3-carboxylic acid
CID 170357791
N-(4,4-difluorooxolan-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380454
ethane;methyl 2-[[1-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]cyclopropyl]amino]acetate
CID 170599471

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide (CID 170602684) is N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide is Cn1nc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)NC1(CO)CCNC1=O.
What is the InChIKey of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide?
The InChIKey is BGQSODMQUCCZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O4/c1-29-16(18(31)27-20(11-30)6-8-26-19(20)32)14-9-13(4-5-15(14)28-29)33-10-12-3-2-7-25-17(12)21(22,23)24/h2-5,7,9,30H,6,8,10-11H2,1H3,(H,26,32)(H,27,31).
What are the key properties of N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide?
N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-oxopyrrolidin-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]indazole-3-carboxamide is sourced from PubChem (CID 170602684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).