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

C32H33FN4O3S — CID 58474312

IUPACN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide
SMILESCC(=O)N(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C1CCNCC1
InChIInChI=1S/C32H33FN4O3S/c1-20(38)37(24-8-11-34-12-9-24)19-23-4-6-27(36-18-23)31-17-28-32(41-31)30(10-13-35-28)40-29-7-5-22(16-26(29)33)15-25(39)14-21-2-3-21/h4-7,10,13,16-18,21,24,34H,2-3,8-9,11-12,14-15,19H2,1H3
InChIKeyYOWOMTGYGGVVKL-UHFFFAOYSA-N
MW572.71 g/mol
LogP6.30
Rot. Bonds10

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

N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide (PubChem CID 58474312) has the molecular formula C32H33FN4O3S and a molecular weight of 572.71 g/mol. Its IUPAC name is N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide
PubChem CID58474312
Molecular FormulaC32H33FN4O3S
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC NameN-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide
SMILESCC(=O)N(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C1CCNCC1
InChIInChI=1S/C32H33FN4O3S/c1-20(38)37(24-8-11-34-12-9-24)19-23-4-6-27(36-18-23)31-17-28-32(41-31)30(10-13-35-28)40-29-7-5-22(16-26(29)33)15-25(39)14-21-2-3-21/h4-7,10,13,16-18,21,24,34H,2-3,8-9,11-12,14-15,19H2,1H3
InChIKeyYOWOMTGYGGVVKL-UHFFFAOYSA-N
XLogP6.30
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

Sitravatinib
CID 25212148
Glesatinib
CID 25181472
3-(3-Fluoro-4-{[2-(pyridin-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901709
3-(3-Fluoro-4-{[2-(pyridin-3-yl)thieno[3,2-b]pyridin-7-yl]oxy}phenyl)-1-(2-phenylacetyl)thiourea
CID 24901710
7-[4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]-N-(3-piperidin-1-ylpropyl)thieno[3,2-b]pyridine-2-carboxamide
CID 86290274
7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[3,2-b]pyridine-2-carboxamide
CID 86290275
N-[3-(diethylamino)propyl]-7-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290321
N-ethyl-7-(3-{[(2-fluoro-5-methylphenyl)amino]carbonyl}phenoxy)thieno[3,2-b]pyridine-2-carboxamide
CID 86290417
N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290418
7-[3-fluoro-4-({[(2-fluoro-5-methylphenyl)amino]carbonyl}amino)phenoxy]-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[3,2-b]pyridine-2-carboxamide
CID 86290751
US9822124, Example 45
CID 118644301
US9822124, Example 57
CID 118644368

Frequently Asked Questions

What is the IUPAC name of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide?
The IUPAC name of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide (CID 58474312) is N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide?
The canonical SMILES for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide is CC(=O)N(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C1CCNCC1.
What is the InChIKey of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide?
The InChIKey is YOWOMTGYGGVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4O3S/c1-20(38)37(24-8-11-34-12-9-24)19-23-4-6-27(36-18-23)31-17-28-32(41-31)30(10-13-35-28)40-29-7-5-22(16-26(29)33)15-25(39)14-21-2-3-21/h4-7,10,13,16-18,21,24,34H,2-3,8-9,11-12,14-15,19H2,1H3.
What are the key properties of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide?
N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide has a molecular weight of 572.71 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 58474312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).