(2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide

C19H26FN5O3 — CID 168935791

IUPAC(2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide
SMILESCC1CCC([C@H](N)C(=O)Nc2cnn(C(CO)c3cc(F)c[nH]c3=O)c2)CC1
InChIInChI=1S/C19H26FN5O3/c1-11-2-4-12(5-3-11)17(21)19(28)24-14-8-23-25(9-14)16(10-26)15-6-13(20)7-22-18(15)27/h6-9,11-12,16-17,26H,2-5,10,21H2,1H3,(H,22,27)(H,24,28)/t11?,12?,16?,17-/m0/s1
InChIKeyDYMNNTHBSJQPLD-OUYDNOHKSA-N
MW391.45 g/mol
LogP1.38
Rot. Bonds6

About (2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide

(2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide (PubChem CID 168935791) has the molecular formula C19H26FN5O3 and a molecular weight of 391.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide
PubChem CID168935791
Molecular FormulaC19H26FN5O3
Molecular Weight391.45 g/mol
Exact Mass391.20
IUPAC Name(2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide
SMILESCC1CCC([C@H](N)C(=O)Nc2cnn(C(CO)c3cc(F)c[nH]c3=O)c2)CC1
InChIInChI=1S/C19H26FN5O3/c1-11-2-4-12(5-3-11)17(21)19(28)24-14-8-23-25(9-14)16(10-26)15-6-13(20)7-22-18(15)27/h6-9,11-12,16-17,26H,2-5,10,21H2,1H3,(H,22,27)(H,24,28)/t11?,12?,16?,17-/m0/s1
InChIKeyDYMNNTHBSJQPLD-OUYDNOHKSA-N
XLogP1.38
TPSA126.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide?
The IUPAC name of (2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide (CID 168935791) is (2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide?
The canonical SMILES for (2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide is CC1CCC([C@H](N)C(=O)Nc2cnn(C(CO)c3cc(F)c[nH]c3=O)c2)CC1.
What is the InChIKey of (2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide?
The InChIKey is DYMNNTHBSJQPLD-OUYDNOHKSA-N. The full InChI is InChI=1S/C19H26FN5O3/c1-11-2-4-12(5-3-11)17(21)19(28)24-14-8-23-25(9-14)16(10-26)15-6-13(20)7-22-18(15)27/h6-9,11-12,16-17,26H,2-5,10,21H2,1H3,(H,22,27)(H,24,28)/t11?,12?,16?,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide?
(2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 1.38, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-hydroxyethyl]pyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 168935791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).