N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide

C19H24FN5O2S — CID 155590300

IUPACN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide
SMILESCC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3cn[nH]c3)cc12
InChIInChI=1S/C19H24FN5O2S/c1-10(2)25-16-12-5-14(11-6-23-24-7-11)28-18(12)22-8-13(16)17(26)21-9-15(20)19(3,4)27/h5-8,10,15,27H,9H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-/m1/s1
InChIKeyIAAHHXMCVPRARJ-OAHLLOKOSA-N
MW405.50 g/mol
LogP3.35
Rot. Bonds7

About N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 155590300) has the molecular formula C19H24FN5O2S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide
PubChem CID155590300
Molecular FormulaC19H24FN5O2S
Molecular Weight405.50 g/mol
Exact Mass405.16
IUPAC NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide
SMILESCC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3cn[nH]c3)cc12
InChIInChI=1S/C19H24FN5O2S/c1-10(2)25-16-12-5-14(11-6-23-24-7-11)28-18(12)22-8-13(16)17(26)21-9-15(20)19(3,4)27/h5-8,10,15,27H,9H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-/m1/s1
InChIKeyIAAHHXMCVPRARJ-OAHLLOKOSA-N
XLogP3.35
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide (CID 155590300) is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[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-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide is CC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3cn[nH]c3)cc12.
What is the InChIKey of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is IAAHHXMCVPRARJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24FN5O2S/c1-10(2)25-16-12-5-14(11-6-23-24-7-11)28-18(12)22-8-13(16)17(26)21-9-15(20)19(3,4)27/h5-8,10,15,27H,9H2,1-4H3,(H,21,26)(H,22,25)(H,23,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide?
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 4 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-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155590300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).