(6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide

C27H33F3N4O3 — CID 164550991

IUPAC(6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2c1C[C@H](C(=O)NC1(C)CCN(C(=O)C3CC3)C1)CC2
InChIInChI=1S/C27H33F3N4O3/c1-15(2)34-22-12-17(24(35)31-27(3)10-11-33(14-27)25(36)16-4-5-16)6-8-19(22)23(32-34)20-13-18(37-26(29)30)7-9-21(20)28/h7,9,13,15-17,26H,4-6,8,10-12,14H2,1-3H3,(H,31,35)/t17-,27?/m1/s1
InChIKeyJLWRBJMGUUDCNZ-MOJDWNGGSA-N
MW518.58 g/mol
LogP4.49
Rot. Bonds7

About (6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide

(6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 164550991) has the molecular formula C27H33F3N4O3 and a molecular weight of 518.58 g/mol. Its IUPAC name is (6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID164550991
Molecular FormulaC27H33F3N4O3
Molecular Weight518.58 g/mol
Exact Mass518.25
IUPAC Name(6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2c1C[C@H](C(=O)NC1(C)CCN(C(=O)C3CC3)C1)CC2
InChIInChI=1S/C27H33F3N4O3/c1-15(2)34-22-12-17(24(35)31-27(3)10-11-33(14-27)25(36)16-4-5-16)6-8-19(22)23(32-34)20-13-18(37-26(29)30)7-9-21(20)28/h7,9,13,15-17,26H,4-6,8,10-12,14H2,1-3H3,(H,31,35)/t17-,27?/m1/s1
InChIKeyJLWRBJMGUUDCNZ-MOJDWNGGSA-N
XLogP4.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide?
The IUPAC name of (6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 164550991) is (6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide.
What is the SMILES notation for (6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide?
The canonical SMILES for (6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide is CC(C)n1nc(-c2cc(OC(F)F)ccc2F)c2c1C[C@H](C(=O)NC1(C)CCN(C(=O)C3CC3)C1)CC2.
What is the InChIKey of (6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is JLWRBJMGUUDCNZ-MOJDWNGGSA-N. The full InChI is InChI=1S/C27H33F3N4O3/c1-15(2)34-22-12-17(24(35)31-27(3)10-11-33(14-27)25(36)16-4-5-16)6-8-19(22)23(32-34)20-13-18(37-26(29)30)7-9-21(20)28/h7,9,13,15-17,26H,4-6,8,10-12,14H2,1-3H3,(H,31,35)/t17-,27?/m1/s1.
What are the key properties of (6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide?
(6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 518.58 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[1-(cyclopropanecarbonyl)-3-methylpyrrolidin-3-yl]-3-[5-(difluoromethoxy)-2-fluorophenyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 164550991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).