3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C23H28N6O2S — CID 137480390

IUPAC3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCO[C@H]1CN(c2ccc3c(n2)CC[C@@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N
InChIInChI=1S/C23H28N6O2S/c1-12-3-6-15-20(25)21(32-23(15)26-12)22(30)27-14-5-7-17-13(9-14)4-8-19(28-17)29-10-16(24)18(11-29)31-2/h3-4,6,8,14,16,18H,5,7,9-11,24-25H2,1-2H3,(H,27,30)/t14-,16+,18+/m1/s1
InChIKeyLAPSGKPNIXLLMO-HFTRVMKXSA-N
MW452.58 g/mol
LogP2.03
Rot. Bonds4

About 3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137480390) has the molecular formula C23H28N6O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID137480390
Molecular FormulaC23H28N6O2S
Molecular Weight452.58 g/mol
Exact Mass452.20
IUPAC Name3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCO[C@H]1CN(c2ccc3c(n2)CC[C@@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N
InChIInChI=1S/C23H28N6O2S/c1-12-3-6-15-20(25)21(32-23(15)26-12)22(30)27-14-5-7-17-13(9-14)4-8-19(28-17)29-10-16(24)18(11-29)31-2/h3-4,6,8,14,16,18H,5,7,9-11,24-25H2,1-2H3,(H,27,30)/t14-,16+,18+/m1/s1
InChIKeyLAPSGKPNIXLLMO-HFTRVMKXSA-N
XLogP2.03
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166492997
3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480369
3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 172539761
3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 167224690
3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane
CID 153402334
7-amino-N-[2-(3-amino-4-propan-2-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540180
3-amino-N-[(6S)-2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137489555
3-amino-N-[2-[3-(1,1-difluoro-2-methoxyethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 172540125
3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 151045427
N-[(6S)-2-[(3S,4R)-3-acetamido-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166493051
5-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 172540398
3-amino-N-[(6S)-2-[(5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 150163686

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 137480390) is 3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CO[C@H]1CN(c2ccc3c(n2)CC[C@@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.
What is the InChIKey of 3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LAPSGKPNIXLLMO-HFTRVMKXSA-N. The full InChI is InChI=1S/C23H28N6O2S/c1-12-3-6-15-20(25)21(32-23(15)26-12)22(30)27-14-5-7-17-13(9-14)4-8-19(28-17)29-10-16(24)18(11-29)31-2/h3-4,6,8,14,16,18H,5,7,9-11,24-25H2,1-2H3,(H,27,30)/t14-,16+,18+/m1/s1.
What are the key properties of 3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137480390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).