N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide

C38H38FN5O3S — CID 58474356

IUPACN-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(NC(=O)CCc6cccnc6)CC5)cn4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C38H38FN5O3S/c39-31-20-27(19-30(45)18-25-3-4-25)6-9-34(31)47-35-11-15-41-33-21-36(48-38(33)35)32-8-5-28(23-42-32)24-44-16-12-29(13-17-44)43-37(46)10-7-26-2-1-14-40-22-26/h1-2,5-6,8-9,11,14-15,20-23,25,29H,3-4,7,10,12-13,16-19,24H2,(H,43,46)
InChIKeyOKIRBYUCPJTVQJ-UHFFFAOYSA-N
MW663.82 g/mol
LogP7.31
Rot. Bonds13

About N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide

N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide (PubChem CID 58474356) has the molecular formula C38H38FN5O3S and a molecular weight of 663.82 g/mol. Its IUPAC name is N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide
PubChem CID58474356
Molecular FormulaC38H38FN5O3S
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC NameN-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(NC(=O)CCc6cccnc6)CC5)cn4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C38H38FN5O3S/c39-31-20-27(19-30(45)18-25-3-4-25)6-9-34(31)47-35-11-15-41-33-21-36(48-38(33)35)32-8-5-28(23-42-32)24-44-16-12-29(13-17-44)43-37(46)10-7-26-2-1-14-40-22-26/h1-2,5-6,8-9,11,14-15,20-23,25,29H,3-4,7,10,12-13,16-19,24H2,(H,43,46)
InChIKeyOKIRBYUCPJTVQJ-UHFFFAOYSA-N
XLogP7.31
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide with MolForge

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N-[4-[2-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide (CID 58474356) is N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide is O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCC(NC(=O)CCc6cccnc6)CC5)cn4)sc23)c(F)c1)CC1CC1.
What is the InChIKey of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is OKIRBYUCPJTVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38FN5O3S/c39-31-20-27(19-30(45)18-25-3-4-25)6-9-34(31)47-35-11-15-41-33-21-36(48-38(33)35)32-8-5-28(23-42-32)24-44-16-12-29(13-17-44)43-37(46)10-7-26-2-1-14-40-22-26/h1-2,5-6,8-9,11,14-15,20-23,25,29H,3-4,7,10,12-13,16-19,24H2,(H,43,46).
What are the key properties of N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide?
N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 663.82 g/mol, XLogP of 7.31, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 58474356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).