1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide

C31H33FN6O4S — CID 67448677

IUPAC1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(CCO)C(=O)C1CCCN1Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1
InChIInChI=1S/C31H33FN6O4S/c1-37(13-14-39)30(40)25-3-2-12-38(25)18-19-4-8-23(34-17-19)28-16-24-29(43-28)27(10-11-33-24)42-26-9-7-21(15-22(26)32)36-31(41)35-20-5-6-20/h4,7-11,15-17,20,25,39H,2-3,5-6,12-14,18H2,1H3,(H2,35,36,41)
InChIKeyMYZRBFLOOCFSGT-UHFFFAOYSA-N
MW604.71 g/mol
LogP4.99
Rot. Bonds10

About 1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide

1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 67448677) has the molecular formula C31H33FN6O4S and a molecular weight of 604.71 g/mol. Its IUPAC name is 1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID67448677
Molecular FormulaC31H33FN6O4S
Molecular Weight604.71 g/mol
Exact Mass604.23
IUPAC Name1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(CCO)C(=O)C1CCCN1Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1
InChIInChI=1S/C31H33FN6O4S/c1-37(13-14-39)30(40)25-3-2-12-38(25)18-19-4-8-23(34-17-19)28-16-24-29(43-28)27(10-11-33-24)42-26-9-7-21(15-22(26)32)36-31(41)35-20-5-6-20/h4,7-11,15-17,20,25,39H,2-3,5-6,12-14,18H2,1H3,(H2,35,36,41)
InChIKeyMYZRBFLOOCFSGT-UHFFFAOYSA-N
XLogP4.99
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.71
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(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-aminopiperidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-cyclopropylurea
CID 67443027
1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[4-(2-fluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 86658603
[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
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-cyclopropyl-3-[4-[2-[5-[[4-[3-(dimethylamino)propyl]anilino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea
CID 67442602
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-cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-oxopiperazin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 67460621
[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-[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
[2-[4-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]-2-oxoethyl] butanoate
CID 71542307
ethyl 3-[4-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]butanoate
CID 67443632

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 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) is 1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide is CN(CCO)C(=O)C1CCCN1Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1.
What is the InChIKey of 1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MYZRBFLOOCFSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN6O4S/c1-37(13-14-39)30(40)25-3-2-12-38(25)18-19-4-8-23(34-17-19)28-16-24-29(43-28)27(10-11-33-24)42-26-9-7-21(15-22(26)32)36-31(41)35-20-5-6-20/h4,7-11,15-17,20,25,39H,2-3,5-6,12-14,18H2,1H3,(H2,35,36,41).
What are the key properties of 1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide?
1-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 604.71 g/mol, XLogP of 4.99, 10 rotatable bonds, 3 hydrogen bond donors, and 8 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]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67448677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).