(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide

C19H25FN4O — CID 100844392

IUPAC(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
SMILESCc1cnn([C@H](C)[C@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1
InChIInChI=1S/C19H25FN4O/c1-12-10-21-24(11-12)14(3)13(2)22-18(19(25)23-17-8-9-17)15-4-6-16(20)7-5-15/h4-7,10-11,13-14,17-18,22H,8-9H2,1-3H3,(H,23,25)/t13-,14+,18+/m0/s1
InChIKeyYAEFETDNWUNSBR-PMUMKWKESA-N
MW344.43 g/mol
LogP2.89
Rot. Bonds7

About (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide

(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide (PubChem CID 100844392) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
PubChem CID100844392
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
SMILESCc1cnn([C@H](C)[C@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1
InChIInChI=1S/C19H25FN4O/c1-12-10-21-24(11-12)14(3)13(2)22-18(19(25)23-17-8-9-17)15-4-6-16(20)7-5-15/h4-7,10-11,13-14,17-18,22H,8-9H2,1-3H3,(H,23,25)/t13-,14+,18+/m0/s1
InChIKeyYAEFETDNWUNSBR-PMUMKWKESA-N
XLogP2.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide (CID 100844392) is (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide is Cc1cnn([C@H](C)[C@H](C)N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1.
What is the InChIKey of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide?
The InChIKey is YAEFETDNWUNSBR-PMUMKWKESA-N. The full InChI is InChI=1S/C19H25FN4O/c1-12-10-21-24(11-12)14(3)13(2)22-18(19(25)23-17-8-9-17)15-4-6-16(20)7-5-15/h4-7,10-11,13-14,17-18,22H,8-9H2,1-3H3,(H,23,25)/t13-,14+,18+/m0/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide?
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide has a molecular weight of 344.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide is sourced from PubChem (CID 100844392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).