N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide

C21H25FN4O2S — CID 155590273

IUPACN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide
SMILESCC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3ccncc3)cc12
InChIInChI=1S/C21H25FN4O2S/c1-12(2)26-18-14-9-16(13-5-7-23-8-6-13)29-20(14)25-10-15(18)19(27)24-11-17(22)21(3,4)28/h5-10,12,17,28H,11H2,1-4H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyMJJCLSMARNVULZ-QGZVFWFLSA-N
MW416.52 g/mol
LogP4.02
Rot. Bonds7

About N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide (PubChem CID 155590273) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide
PubChem CID155590273
Molecular FormulaC21H25FN4O2S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide
SMILESCC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3ccncc3)cc12
InChIInChI=1S/C21H25FN4O2S/c1-12(2)26-18-14-9-16(13-5-7-23-8-6-13)29-20(14)25-10-15(18)19(27)24-11-17(22)21(3,4)28/h5-10,12,17,28H,11H2,1-4H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyMJJCLSMARNVULZ-QGZVFWFLSA-N
XLogP4.02
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-Amino-4-pyridin-3-yl-6,7-dihydro-5H-1-thia-8-aza-s-indacene-2-carboxylic acid amide
CID 706211
3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
3-Amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 766178
3-amino-N-(2-fluorophenyl)-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxamide
CID 1962617
3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1086314
[3-Amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl](phenyl)methanone
CID 794365
9-(methylamino)-3-(4''-ethylphenyl)-3H-5-thia-1,3,6-triazafluoren-4-one
CID 11681575
3-Amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 11778213
5-(4-Fluorophenyl)-13-(methylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16117168
3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 53382523
5-(4-Fluorophenyl)-13-(prop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54585403
2-Phenyl-4-piperidin-3-ylsulfanylthieno[3,2-c]pyridine-7-carboxamide
CID 69013596

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide (CID 155590273) is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide is CC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3ccncc3)cc12.
What is the InChIKey of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is MJJCLSMARNVULZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c1-12(2)26-18-14-9-16(13-5-7-23-8-6-13)29-20(14)25-10-15(18)19(27)24-11-17(22)21(3,4)28/h5-10,12,17,28H,11H2,1-4H3,(H,24,27)(H,25,26)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide?
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155590273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).