1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide

C30H24ClF2N5O4 — CID 137498029

About 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide

1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide (PubChem CID 137498029) has the molecular formula C30H24ClF2N5O4 and a molecular weight of 592.00 g/mol. Its IUPAC name is 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide
• PubChem CID: 137498029
• Molecular Formula: C30H24ClF2N5O4
• Molecular Weight: 592.00 g/mol
• Exact Mass: 591.15
• IUPAC Name: 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide
• SMILES: Cn1cc(C(=O)c2cc(F)c3c(c2)C(=O)N(Cc2ccc(F)cn2)[C@@]3(OCC2(C(N)=O)CC2)c2ccc(Cl)cc2)cn1
• InChI: InChI=1S/C30H24ClF2N5O4/c1-37-14-18(12-36-37)26(39)17-10-23-25(24(33)11-17)30(19-2-4-20(31)5-3-19,42-16-29(8-9-29)28(34)41)38(27(23)40)15-22-7-6-21(32)13-35-22/h2-7,10-14H,8-9,15-16H2,1H3,(H2,34,41)/t30-/m1/s1
• InChIKey: FEZQXRPRZUHJLV-SSEXGKCCSA-N
• XLogP: 4.12
• TPSA: 120.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.00
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide (CID 137498029) is 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide is Cn1cc(C(=O)c2cc(F)c3c(c2)C(=O)N(Cc2ccc(F)cn2)[C@@]3(OCC2(C(N)=O)CC2)c2ccc(Cl)cc2)cn1.

What is the InChIKey of 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide?

The InChIKey is FEZQXRPRZUHJLV-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H24ClF2N5O4/c1-37-14-18(12-36-37)26(39)17-10-23-25(24(33)11-17)30(19-2-4-20(31)5-3-19,42-16-29(8-9-29)28(34)41)38(27(23)40)15-22-7-6-21(32)13-35-22/h2-7,10-14H,8-9,15-16H2,1H3,(H2,34,41)/t30-/m1/s1.

What are the key properties of 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide?

1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide has a molecular weight of 592.00 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(1R)-1-(4-chlorophenyl)-7-fluoro-2-[(5-fluoro-2-pyridinyl)methyl]-5-(1-methylpyrazole-4-carbonyl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 137498029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).