N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C16H22F2N4O2 — CID 167769737

IUPACN-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCC1Cc2cn[nH]c2C(C(=O)NCC2CCN(C(=O)C(F)F)C2)C1
InChIInChI=1S/C16H22F2N4O2/c1-9-4-11-7-20-21-13(11)12(5-9)15(23)19-6-10-2-3-22(8-10)16(24)14(17)18/h7,9-10,12,14H,2-6,8H2,1H3,(H,19,23)(H,20,21)
InChIKeyHTZWANKYVGPBLU-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.31
Rot. Bonds4

About N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 167769737) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID167769737
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC NameN-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCC1Cc2cn[nH]c2C(C(=O)NCC2CCN(C(=O)C(F)F)C2)C1
InChIInChI=1S/C16H22F2N4O2/c1-9-4-11-7-20-21-13(11)12(5-9)15(23)19-6-10-2-3-22(8-10)16(24)14(17)18/h7,9-10,12,14H,2-6,8H2,1H3,(H,19,23)(H,20,21)
InChIKeyHTZWANKYVGPBLU-UHFFFAOYSA-N
XLogP1.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 167769737) is N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is CC1Cc2cn[nH]c2C(C(=O)NCC2CCN(C(=O)C(F)F)C2)C1.
What is the InChIKey of N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is HTZWANKYVGPBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c1-9-4-11-7-20-21-13(11)12(5-9)15(23)19-6-10-2-3-22(8-10)16(24)14(17)18/h7,9-10,12,14H,2-6,8H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroacetyl)pyrrolidin-3-yl]methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 167769737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).