1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid

C29H26FN5O5S — CID 67443698

IUPAC1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(C(=O)N5CCCC(C(=O)O)C5)cn4)sc23)c(F)c1)NC1CC1
InChIInChI=1S/C29H26FN5O5S/c30-20-12-19(34-29(39)33-18-4-5-18)6-8-23(20)40-24-9-10-31-22-13-25(41-26(22)24)21-7-3-16(14-32-21)27(36)35-11-1-2-17(15-35)28(37)38/h3,6-10,12-14,17-18H,1-2,4-5,11,15H2,(H,37,38)(H2,33,34,39)
InChIKeyDHDMKUMEEOFAQP-UHFFFAOYSA-N
MW575.62 g/mol
LogP5.51
Rot. Bonds7

About 1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid

1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 67443698) has the molecular formula C29H26FN5O5S and a molecular weight of 575.62 g/mol. Its IUPAC name is 1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid
PubChem CID67443698
Molecular FormulaC29H26FN5O5S
Molecular Weight575.62 g/mol
Exact Mass575.16
IUPAC Name1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(C(=O)N5CCCC(C(=O)O)C5)cn4)sc23)c(F)c1)NC1CC1
InChIInChI=1S/C29H26FN5O5S/c30-20-12-19(34-29(39)33-18-4-5-18)6-8-23(20)40-24-9-10-31-22-13-25(41-26(22)24)21-7-3-16(14-32-21)27(36)35-11-1-2-17(15-35)28(37)38/h3,6-10,12-14,17-18H,1-2,4-5,11,15H2,(H,37,38)(H2,33,34,39)
InChIKeyDHDMKUMEEOFAQP-UHFFFAOYSA-N
XLogP5.51
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.62
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[6-[7-[2-fluoro-4-(oxetan-3-ylcarbamoylamino)phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidine-3-carboxylic acid
CID 123511517
1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 71541834
1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(pyrrolidine-1-carbonyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 67442530
1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 67441798
1-[4-[2-[5-[(4-aminopiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylurea
CID 67443027
[1-[[6-[7-[4-[(1-acetylazetidin-3-yl)carbamoylamino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperidin-4-yl]carbamic acid
CID 89485192
[2-[4-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl] acetate
CID 67441803
(2S)-1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 67440981
1-[4-[2-[5-[[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylurea
CID 77430024
N-[(3S)-1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 67442527
[1-[4-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 71542211
1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide
CID 67448677

Frequently Asked Questions

What is the IUPAC name of 1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid (CID 67443698) is 1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid is O=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(C(=O)N5CCCC(C(=O)O)C5)cn4)sc23)c(F)c1)NC1CC1.
What is the InChIKey of 1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is DHDMKUMEEOFAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O5S/c30-20-12-19(34-29(39)33-18-4-5-18)6-8-23(20)40-24-9-10-31-22-13-25(41-26(22)24)21-7-3-16(14-32-21)27(36)35-11-1-2-17(15-35)28(37)38/h3,6-10,12-14,17-18H,1-2,4-5,11,15H2,(H,37,38)(H2,33,34,39).
What are the key properties of 1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid?
1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 575.62 g/mol, XLogP of 5.51, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]pyridine-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 67443698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).