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

C24H31N7O2S — CID 172540180

IUPAC7-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
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C(OC(C)C)C5)ccc4C3)sc2n1
InChIInChI=1S/C24H31N7O2S/c1-12(2)33-18-11-31(10-16(18)25)19-7-4-14-8-15(5-6-17(14)30-19)29-23(32)22-20(26)21-24(34-22)28-13(3)9-27-21/h4,7,9,12,15-16,18H,5-6,8,10-11,25-26H2,1-3H3,(H,29,32)
InChIKeyRKZURDYUPRPCRD-UHFFFAOYSA-N
MW481.63 g/mol
LogP2.21
Rot. Bonds5

About 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

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 (PubChem CID 172540180) has the molecular formula C24H31N7O2S and a molecular weight of 481.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID172540180
Molecular FormulaC24H31N7O2S
Molecular Weight481.63 g/mol
Exact Mass481.23
IUPAC Name7-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
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C(OC(C)C)C5)ccc4C3)sc2n1
InChIInChI=1S/C24H31N7O2S/c1-12(2)33-18-11-31(10-16(18)25)19-7-4-14-8-15(5-6-17(14)30-19)29-23(32)22-20(26)21-24(34-22)28-13(3)9-27-21/h4,7,9,12,15-16,18H,5-6,8,10-11,25-26H2,1-3H3,(H,29,32)
InChIKeyRKZURDYUPRPCRD-UHFFFAOYSA-N
XLogP2.21
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

7-amino-N-[(6S)-2-(3-azabicyclo[3.1.1]heptan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167553028
7-amino-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 142528405
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
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
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-[2-[3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 172540042
7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540470
7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172539836
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
6-amino-N-[2-[3-amino-4-(1-methoxy-2-methylpropan-2-yl)oxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 146348723
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-N-[2-[3-amino-4-(1,1-difluoro-2-methoxyethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 172539809

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C(OC(C)C)C5)ccc4C3)sc2n1.
What is the InChIKey of 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?
The InChIKey is RKZURDYUPRPCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2S/c1-12(2)33-18-11-31(10-16(18)25)19-7-4-14-8-15(5-6-17(14)30-19)29-23(32)22-20(26)21-24(34-22)28-13(3)9-27-21/h4,7,9,12,15-16,18H,5-6,8,10-11,25-26H2,1-3H3,(H,29,32).
What are the key properties of 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?
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 has a molecular weight of 481.63 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172540180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).