3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C24H29N5OS — CID 153311077

IUPAC3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC(NC5CC5)C4)cc3)sc2n1
InChIInChI=1S/C24H29N5OS/c1-15-2-9-20-21(25)22(31-24(20)27-15)23(30)26-12-10-16-3-7-19(8-4-16)29-13-11-18(14-29)28-17-5-6-17/h2-4,7-9,17-18,28H,5-6,10-14,25H2,1H3,(H,26,30)
InChIKeyHLQNOGSWTIZTBF-UHFFFAOYSA-N
MW435.60 g/mol
LogP3.49
Rot. Bonds7

About 3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 153311077) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID153311077
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC(NC5CC5)C4)cc3)sc2n1
InChIInChI=1S/C24H29N5OS/c1-15-2-9-20-21(25)22(31-24(20)27-15)23(30)26-12-10-16-3-7-19(8-4-16)29-13-11-18(14-29)28-17-5-6-17/h2-4,7-9,17-18,28H,5-6,10-14,25H2,1H3,(H,26,30)
InChIKeyHLQNOGSWTIZTBF-UHFFFAOYSA-N
XLogP3.49
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-[4-[(3S)-3-ethylpyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 157264578
3-amino-N-[2-[3-chloro-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155549477
3-amino-6-methyl-N-[2-[4-(1-methylpiperidin-4-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 167148190
3-amino-N-[2-[4-(2,8-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 146855503
3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 153311036
N-[2-[4-(4-cyclobutylpiperazin-1-yl)phenyl]ethyl]-3,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 153311012
3-amino-N-[2-[4-(2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155548649
3-amino-6-(methylamino)-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 157222940
3-amino-N-[2-[4-[3-(piperidin-4-ylcarbamoyl)piperazin-1-yl]phenyl]ethyl]-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 177184434
3-amino-6-ethoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 157222941
6-methyl-3-(methylamino)-N-[2-[4-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 168959296
3-amino-N-[2-(3,5-difluoro-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155553020

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 153311077) is 3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC(NC5CC5)C4)cc3)sc2n1.
What is the InChIKey of 3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HLQNOGSWTIZTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-15-2-9-20-21(25)22(31-24(20)27-15)23(30)26-12-10-16-3-7-19(8-4-16)29-13-11-18(14-29)28-17-5-6-17/h2-4,7-9,17-18,28H,5-6,10-14,25H2,1H3,(H,26,30).
What are the key properties of 3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 435.60 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[4-[3-(cyclopropylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 153311077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).