N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide

C25H24N4O5S — CID 20746097

IUPACN-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
SMILESCc1cc2cc(Oc3ccnc4cc(C(=O)N5CC(O)C(O)C5)sc34)ccc2n1C(=O)NC1CC1
InChIInChI=1S/C25H24N4O5S/c1-13-8-14-9-16(4-5-18(14)29(13)25(33)27-15-2-3-15)34-21-6-7-26-17-10-22(35-23(17)21)24(32)28-11-19(30)20(31)12-28/h4-10,15,19-20,30-31H,2-3,11-12H2,1H3,(H,27,33)
InChIKeyXFXWJYDZNFMYFP-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.25
Rot. Bonds4

About N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide

N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide (PubChem CID 20746097) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
PubChem CID20746097
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC NameN-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
SMILESCc1cc2cc(Oc3ccnc4cc(C(=O)N5CC(O)C(O)C5)sc34)ccc2n1C(=O)NC1CC1
InChIInChI=1S/C25H24N4O5S/c1-13-8-14-9-16(4-5-18(14)29(13)25(33)27-15-2-3-15)34-21-6-7-26-17-10-22(35-23(17)21)24(32)28-11-19(30)20(31)12-28/h4-10,15,19-20,30-31H,2-3,11-12H2,1H3,(H,27,33)
InChIKeyXFXWJYDZNFMYFP-UHFFFAOYSA-N
XLogP3.25
TPSA116.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide?
The IUPAC name of N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide (CID 20746097) is N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide is Cc1cc2cc(Oc3ccnc4cc(C(=O)N5CC(O)C(O)C5)sc34)ccc2n1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide?
The InChIKey is XFXWJYDZNFMYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-13-8-14-9-16(4-5-18(14)29(13)25(33)27-15-2-3-15)34-21-6-7-26-17-10-22(35-23(17)21)24(32)28-11-19(30)20(31)12-28/h4-10,15,19-20,30-31H,2-3,11-12H2,1H3,(H,27,33).
What are the key properties of N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide?
N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide is sourced from PubChem (CID 20746097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).