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

C22H25FN6O2S — CID 146364588

IUPAC3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(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(N5C[C@@H](CF)[C@@H](N)C5)ccc4C3)sc2n1
InChIInChI=1S/C22H25FN6O2S/c1-11-2-4-15-18(25)19(32-22(15)26-11)20(30)27-14-6-12-3-5-17(28-21(12)31-10-14)29-8-13(7-23)16(24)9-29/h2-5,13-14,16H,6-10,24-25H2,1H3,(H,27,30)/t13-,14-,16+/m1/s1
InChIKeyOGLBEKVEOUAFLV-FMKPAKJESA-N
MW456.55 g/mol
LogP2.05
Rot. Bonds4

About 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(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,4R)-3-amino-4-(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 146364588) has the molecular formula C22H25FN6O2S and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(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,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID146364588
Molecular FormulaC22H25FN6O2S
Molecular Weight456.55 g/mol
Exact Mass456.17
IUPAC Name3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(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(N5C[C@@H](CF)[C@@H](N)C5)ccc4C3)sc2n1
InChIInChI=1S/C22H25FN6O2S/c1-11-2-4-15-18(25)19(32-22(15)26-11)20(30)27-14-6-12-3-5-17(28-21(12)31-10-14)29-8-13(7-23)16(24)9-29/h2-5,13-14,16H,6-10,24-25H2,1H3,(H,27,30)/t13-,14-,16+/m1/s1
InChIKeyOGLBEKVEOUAFLV-FMKPAKJESA-N
XLogP2.05
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(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,4R)-3-amino-4-(fluoromethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 146364588) is 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(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,4R)-3-amino-4-(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,4R)-3-amino-4-(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(N5C[C@@H](CF)[C@@H](N)C5)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(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 OGLBEKVEOUAFLV-FMKPAKJESA-N. The full InChI is InChI=1S/C22H25FN6O2S/c1-11-2-4-15-18(25)19(32-22(15)26-11)20(30)27-14-6-12-3-5-17(28-21(12)31-10-14)29-8-13(7-23)16(24)9-29/h2-5,13-14,16H,6-10,24-25H2,1H3,(H,27,30)/t13-,14-,16+/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(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,4R)-3-amino-4-(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 456.55 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(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 146364588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).