[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid

C19H18FN5O3 — CID 67496659

IUPAC[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid
SMILESCn1nc(-c2ccncc2)cc1NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)O
InChIInChI=1S/C19H18FN5O3/c1-25-17(11-15(24-25)13-6-8-21-9-7-13)23-18(26)16(22-19(27)28)10-12-2-4-14(20)5-3-12/h2-9,11,16,22H,10H2,1H3,(H,23,26)(H,27,28)/t16-/m0/s1
InChIKeySGPJOQJDZVYFEE-INIZCTEOSA-N
MW383.38 g/mol
LogP2.44
Rot. Bonds6

About [(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid

[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 67496659) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is [(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID67496659
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid
SMILESCn1nc(-c2ccncc2)cc1NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)O
InChIInChI=1S/C19H18FN5O3/c1-25-17(11-15(24-25)13-6-8-21-9-7-13)23-18(26)16(22-19(27)28)10-12-2-4-14(20)5-3-12/h2-9,11,16,22H,10H2,1H3,(H,23,26)(H,27,28)/t16-/m0/s1
InChIKeySGPJOQJDZVYFEE-INIZCTEOSA-N
XLogP2.44
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid (CID 67496659) is [(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid is Cn1nc(-c2ccncc2)cc1NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)O.
What is the InChIKey of [(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is SGPJOQJDZVYFEE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-25-17(11-15(24-25)13-6-8-21-9-7-13)23-18(26)16(22-19(27)28)10-12-2-4-14(20)5-3-12/h2-9,11,16,22H,10H2,1H3,(H,23,26)(H,27,28)/t16-/m0/s1.
What are the key properties of [(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid?
[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 383.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 67496659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).