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

C23H26F2N6OS — CID 137480326

IUPAC3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](N)[C@H](C(F)F)C5)ccc4C3)sc2n1
InChIInChI=1S/C23H26F2N6OS/c1-11-2-5-14-19(27)20(33-23(14)28-11)22(32)29-13-4-6-17-12(8-13)3-7-18(30-17)31-9-15(21(24)25)16(26)10-31/h2-3,5,7,13,15-16,21H,4,6,8-10,26-27H2,1H3,(H,29,32)/t13-,15+,16+/m0/s1
InChIKeyWXGKTVTUMWXGQK-NUEKZKHPSA-N
MW472.57 g/mol
LogP2.90
Rot. Bonds4

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

3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137480326) has the molecular formula C23H26F2N6OS and a molecular weight of 472.57 g/mol. Its IUPAC name is 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID137480326
Molecular FormulaC23H26F2N6OS
Molecular Weight472.57 g/mol
Exact Mass472.19
IUPAC Name3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](N)[C@H](C(F)F)C5)ccc4C3)sc2n1
InChIInChI=1S/C23H26F2N6OS/c1-11-2-5-14-19(27)20(33-23(14)28-11)22(32)29-13-4-6-17-12(8-13)3-7-18(30-17)31-9-15(21(24)25)16(26)10-31/h2-3,5,7,13,15-16,21H,4,6,8-10,26-27H2,1H3,(H,29,32)/t13-,15+,16+/m0/s1
InChIKeyWXGKTVTUMWXGQK-NUEKZKHPSA-N
XLogP2.90
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 137480326) is 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-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-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@@H](N)[C@H](C(F)F)C5)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WXGKTVTUMWXGQK-NUEKZKHPSA-N. The full InChI is InChI=1S/C23H26F2N6OS/c1-11-2-5-14-19(27)20(33-23(14)28-11)22(32)29-13-4-6-17-12(8-13)3-7-18(30-17)31-9-15(21(24)25)16(26)10-31/h2-3,5,7,13,15-16,21H,4,6,8-10,26-27H2,1H3,(H,29,32)/t13-,15+,16+/m0/s1.
What are the key properties of 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137480326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).