N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide

C26H29N5O3S — CID 20767878

IUPACN,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCNCC1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NC)c(C)n(C)c5c4)c3s2)C1
InChIInChI=1S/C26H29N5O3S/c1-15-23(25(32)28-3)18-6-5-17(11-20(18)30(15)4)34-21-7-9-29-19-12-22(35-24(19)21)26(33)31-10-8-16(14-31)13-27-2/h5-7,9,11-12,16,27H,8,10,13-14H2,1-4H3,(H,28,32)
InChIKeyOHCLUFIPHVJKMM-UHFFFAOYSA-N
MW491.62 g/mol
LogP3.93
Rot. Bonds6

About N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide

N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (PubChem CID 20767878) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.

Molecular Properties

Compound NameN,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
PubChem CID20767878
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC NameN,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
SMILESCNCC1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NC)c(C)n(C)c5c4)c3s2)C1
InChIInChI=1S/C26H29N5O3S/c1-15-23(25(32)28-3)18-6-5-17(11-20(18)30(15)4)34-21-7-9-29-19-12-22(35-24(19)21)26(33)31-10-8-16(14-31)13-27-2/h5-7,9,11-12,16,27H,8,10,13-14H2,1-4H3,(H,28,32)
InChIKeyOHCLUFIPHVJKMM-UHFFFAOYSA-N
XLogP3.93
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The IUPAC name of N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide (CID 20767878) is N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide.
What is the SMILES notation for N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The canonical SMILES for N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is CNCC1CCN(C(=O)c2cc3nccc(Oc4ccc5c(C(=O)NC)c(C)n(C)c5c4)c3s2)C1.
What is the InChIKey of N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
The InChIKey is OHCLUFIPHVJKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-15-23(25(32)28-3)18-6-5-17(11-20(18)30(15)4)34-21-7-9-29-19-12-22(35-24(19)21)26(33)31-10-8-16(14-31)13-27-2/h5-7,9,11-12,16,27H,8,10,13-14H2,1-4H3,(H,28,32).
What are the key properties of N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide?
N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-6-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide is sourced from PubChem (CID 20767878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).