3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C22H24FN5O2S — CID 146364589

IUPAC3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CC[C@@H](CF)C5)ccc4C3)sc2n1
InChIInChI=1S/C22H24FN5O2S/c1-12-2-4-16-18(24)19(31-22(16)25-12)20(29)26-15-8-14-3-5-17(27-21(14)30-11-15)28-7-6-13(9-23)10-28/h2-5,13,15H,6-11,24H2,1H3,(H,26,29)/t13-,15+/m0/s1
InChIKeyKJUMWWGRRITAMR-DZGCQCFKSA-N
MW441.53 g/mol
LogP3.11
Rot. Bonds4

About 3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 146364589) has the molecular formula C22H24FN5O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID146364589
Molecular FormulaC22H24FN5O2S
Molecular Weight441.53 g/mol
Exact Mass441.16
IUPAC Name3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CC[C@@H](CF)C5)ccc4C3)sc2n1
InChIInChI=1S/C22H24FN5O2S/c1-12-2-4-16-18(24)19(31-22(16)25-12)20(29)26-15-8-14-3-5-17(27-21(14)30-11-15)28-7-6-13(9-23)10-28/h2-5,13,15H,6-11,24H2,1H3,(H,26,29)/t13-,15+/m0/s1
InChIKeyKJUMWWGRRITAMR-DZGCQCFKSA-N
XLogP3.11
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 146364589) is 3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4nc(N5CC[C@@H](CF)C5)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KJUMWWGRRITAMR-DZGCQCFKSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c1-12-2-4-16-18(24)19(31-22(16)25-12)20(29)26-15-8-14-3-5-17(27-21(14)30-11-15)28-7-6-13(9-23)10-28/h2-5,13,15H,6-11,24H2,1H3,(H,26,29)/t13-,15+/m0/s1.
What are the key properties of 3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 146364589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).