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5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

C25H32FN7O3S — CID 172540015

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCC(C)OC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)ncc4c2N)CC3)CC1N
InChIInChI=1S/C25H32FN7O3S/c1-12(11-35-3)36-20-10-33(9-18(20)27)23-17(26)7-14-6-15(4-5-19(14)32-23)31-24(34)22-21(28)16-8-29-13(2)30-25(16)37-22/h7-8,12,15,18,20H,4-6,9-11,27-28H2,1-3H3,(H,31,34)
InChIKeyNQGRHGYAQZTVFD-UHFFFAOYSA-N
MW529.64 g/mol
LogP1.97
Rot. Bonds7

About 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172540015) has the molecular formula C25H32FN7O3S and a molecular weight of 529.64 g/mol. Its IUPAC name is 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID172540015
Molecular FormulaC25H32FN7O3S
Molecular Weight529.64 g/mol
Exact Mass529.23
IUPAC Name5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCC(C)OC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)ncc4c2N)CC3)CC1N
InChIInChI=1S/C25H32FN7O3S/c1-12(11-35-3)36-20-10-33(9-18(20)27)23-17(26)7-14-6-15(4-5-19(14)32-23)31-24(34)22-21(28)16-8-29-13(2)30-25(16)37-22/h7-8,12,15,18,20H,4-6,9-11,27-28H2,1-3H3,(H,31,34)
InChIKeyNQGRHGYAQZTVFD-UHFFFAOYSA-N
XLogP1.97
TPSA141.51 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 172540015) is 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCC(C)OC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)ncc4c2N)CC3)CC1N.
What is the InChIKey of 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NQGRHGYAQZTVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7O3S/c1-12(11-35-3)36-20-10-33(9-18(20)27)23-17(26)7-14-6-15(4-5-19(14)32-23)31-24(34)22-21(28)16-8-29-13(2)30-25(16)37-22/h7-8,12,15,18,20H,4-6,9-11,27-28H2,1-3H3,(H,31,34).
What are the key properties of 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 529.64 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172540015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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