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

C22H26FN7OS — CID 166493053

IUPAC3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@@H]3CCc4nc(N5C[C@@H](CF)[C@@H](N)C5)ncc4C3)sc2n1
InChIInChI=1S/C22H26FN7OS/c1-11-2-4-15-18(25)19(32-21(15)27-11)20(31)28-14-3-5-17-12(6-14)8-26-22(29-17)30-9-13(7-23)16(24)10-30/h2,4,8,13-14,16H,3,5-7,9-10,24-25H2,1H3,(H,28,31)/t13-,14-,16+/m1/s1
InChIKeyUUNFVCUUYIPDBE-FMKPAKJESA-N
MW455.56 g/mol
LogP2.00
Rot. Bonds4

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

3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 166493053) has the molecular formula C22H26FN7OS and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID166493053
Molecular FormulaC22H26FN7OS
Molecular Weight455.56 g/mol
Exact Mass455.19
IUPAC Name3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@@H]3CCc4nc(N5C[C@@H](CF)[C@@H](N)C5)ncc4C3)sc2n1
InChIInChI=1S/C22H26FN7OS/c1-11-2-4-15-18(25)19(32-21(15)27-11)20(31)28-14-3-5-17-12(6-14)8-26-22(29-17)30-9-13(7-23)16(24)10-30/h2,4,8,13-14,16H,3,5-7,9-10,24-25H2,1H3,(H,28,31)/t13-,14-,16+/m1/s1
InChIKeyUUNFVCUUYIPDBE-FMKPAKJESA-N
XLogP2.00
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-amino-N-[(6R)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166492938
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-[(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,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-[(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-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-[(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-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane
CID 153402334
4-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3-fluoro-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-1-carboxylic acid
CID 137481004
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
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
6-amino-N-[2-[3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 172539810

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 166493053) is 3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@@H]3CCc4nc(N5C[C@@H](CF)[C@@H](N)C5)ncc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UUNFVCUUYIPDBE-FMKPAKJESA-N. The full InChI is InChI=1S/C22H26FN7OS/c1-11-2-4-15-18(25)19(32-21(15)27-11)20(31)28-14-3-5-17-12(6-14)8-26-22(29-17)30-9-13(7-23)16(24)10-30/h2,4,8,13-14,16H,3,5-7,9-10,24-25H2,1H3,(H,28,31)/t13-,14-,16+/m1/s1.
What are the key properties of 3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(6R)-2-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.00, 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-[(3R,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 166493053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).