7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide

C33H40N6O5S — CID 23540351

IUPAC7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide
SMILESCOc1c(NC(=O)c2cc3cccc(Oc4ccnc(N5CCC(N(C)C)C5)c4)c3n2C)cc(C2(C)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C33H40N6O5S/c1-33(12-13-33)22-17-25(31(43-5)26(18-22)36-45(6,41)42)35-32(40)27-16-21-8-7-9-28(30(21)38(27)4)44-24-10-14-34-29(19-24)39-15-11-23(20-39)37(2)3/h7-10,14,16-19,23,36H,11-13,15,20H2,1-6H3,(H,35,40)
InChIKeyLYNFSNASZQDYGO-UHFFFAOYSA-N
MW632.79 g/mol
LogP5.19
Rot. Bonds10

About 7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide

7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide (PubChem CID 23540351) has the molecular formula C33H40N6O5S and a molecular weight of 632.79 g/mol. Its IUPAC name is 7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide
PubChem CID23540351
Molecular FormulaC33H40N6O5S
Molecular Weight632.79 g/mol
Exact Mass632.28
IUPAC Name7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide
SMILESCOc1c(NC(=O)c2cc3cccc(Oc4ccnc(N5CCC(N(C)C)C5)c4)c3n2C)cc(C2(C)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C33H40N6O5S/c1-33(12-13-33)22-17-25(31(43-5)26(18-22)36-45(6,41)42)35-32(40)27-16-21-8-7-9-28(30(21)38(27)4)44-24-10-14-34-29(19-24)39-15-11-23(20-39)37(2)3/h7-10,14,16-19,23,36H,11-13,15,20H2,1-6H3,(H,35,40)
InChIKeyLYNFSNASZQDYGO-UHFFFAOYSA-N
XLogP5.19
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.79
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide with MolForge

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Related Compounds

N-[3-amino-2-methoxy-5-(1-methylcyclopropyl)phenyl]methanesulfonamide;7-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-1-methylindole-2-carboxylic acid
CID 172734688
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide
CID 11949922
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[2-(dimethylamino)pyrimidin-4-yl]oxy-1-methylindole-2-carboxamide
CID 10460590
7-[2-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-N-[3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylindole-2-carboxamide
CID 23540363
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[2-[2-(4-tert-butylpiperazin-1-yl)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxamide
CID 10394904
N-(5-tert-butyl-2-methyl-3-pyridinyl)-1-methyl-7-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxy]indole-2-carboxamide
CID 11598729
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(dihydroxyamino)-1-methylindole-2-carboxamide
CID 89175219
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-phenylmethoxyindole-2-carboxamide
CID 58608271
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[2-(2-imidazol-1-ylethylamino)pyrimidin-4-yl]oxy-1-methylindole-2-carboxamide
CID 23540350
N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide;1-methyl-7-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]indole-2-carboxylic acid
CID 162621346
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(3-hydroxypiperidine-1-carbonyl)-1-methylindole-2-carboxamide
CID 58608287
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(4-carbamoylpiperazine-1-carbonyl)-1-methylindole-2-carboxamide
CID 58608249

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide?
The IUPAC name of 7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide (CID 23540351) is 7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide is COc1c(NC(=O)c2cc3cccc(Oc4ccnc(N5CCC(N(C)C)C5)c4)c3n2C)cc(C2(C)CC2)cc1NS(C)(=O)=O.
What is the InChIKey of 7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide?
The InChIKey is LYNFSNASZQDYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O5S/c1-33(12-13-33)22-17-25(31(43-5)26(18-22)36-45(6,41)42)35-32(40)27-16-21-8-7-9-28(30(21)38(27)4)44-24-10-14-34-29(19-24)39-15-11-23(20-39)37(2)3/h7-10,14,16-19,23,36H,11-13,15,20H2,1-6H3,(H,35,40).
What are the key properties of 7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide?
7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide has a molecular weight of 632.79 g/mol, XLogP of 5.19, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]oxy]-N-[3-(methanesulfonamido)-2-methoxy-5-(1-methylcyclopropyl)phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 23540351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).