N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide

C30H29F3N6O4S — CID 134449119

About N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide

N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide (PubChem CID 134449119) has the molecular formula C30H29F3N6O4S and a molecular weight of 626.66 g/mol. Its IUPAC name is N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide
• PubChem CID: 134449119
• Molecular Formula: C30H29F3N6O4S
• Molecular Weight: 626.66 g/mol
• Exact Mass: 626.19
• IUPAC Name: N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide
• SMILES: Cc1cc(Oc2c(F)cccc2F)ncc1-n1ncc(C(=O)c2cc3cc(C(C)C)c(NS(=O)(=O)CCCF)cc3[nH]2)c1N
• InChI: InChI=1S/C30H29F3N6O4S/c1-16(2)19-11-18-12-25(37-23(18)13-24(19)38-44(41,42)9-5-8-31)28(40)20-14-36-39(30(20)34)26-15-35-27(10-17(26)3)43-29-21(32)6-4-7-22(29)33/h4,6-7,10-16,37-38H,5,8-9,34H2,1-3H3
• InChIKey: KTVIGYZSISPGKR-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 144.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.66
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide?

The IUPAC name of N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide (CID 134449119) is N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide.

What is the SMILES notation for N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide?

The canonical SMILES for N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide is Cc1cc(Oc2c(F)cccc2F)ncc1-n1ncc(C(=O)c2cc3cc(C(C)C)c(NS(=O)(=O)CCCF)cc3[nH]2)c1N.

What is the InChIKey of N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide?

The InChIKey is KTVIGYZSISPGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N6O4S/c1-16(2)19-11-18-12-25(37-23(18)13-24(19)38-44(41,42)9-5-8-31)28(40)20-14-36-39(30(20)34)26-15-35-27(10-17(26)3)43-29-21(32)6-4-7-22(29)33/h4,6-7,10-16,37-38H,5,8-9,34H2,1-3H3.

What are the key properties of N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide?

N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide has a molecular weight of 626.66 g/mol, XLogP of 6.17, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-amino-1-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]pyrazole-4-carbonyl]-5-propan-2-yl-1H-indol-6-yl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 134449119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).