(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide

C17H16FN5O2 — CID 31817367

IUPAC(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide
SMILESNC(=O)N[C@@H](CC(=O)Nc1cccc2cn[nH]c12)c1ccccc1F
InChIInChI=1S/C17H16FN5O2/c18-12-6-2-1-5-11(12)14(22-17(19)25)8-15(24)21-13-7-3-4-10-9-20-23-16(10)13/h1-7,9,14H,8H2,(H,20,23)(H,21,24)(H3,19,22,25)/t14-/m0/s1
InChIKeyCONXKLPVEYPOJA-AWEZNQCLSA-N
MW341.35 g/mol
LogP2.44
Rot. Bonds5

About (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide

(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide (PubChem CID 31817367) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide
PubChem CID31817367
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide
SMILESNC(=O)N[C@@H](CC(=O)Nc1cccc2cn[nH]c12)c1ccccc1F
InChIInChI=1S/C17H16FN5O2/c18-12-6-2-1-5-11(12)14(22-17(19)25)8-15(24)21-13-7-3-4-10-9-20-23-16(10)13/h1-7,9,14H,8H2,(H,20,23)(H,21,24)(H3,19,22,25)/t14-/m0/s1
InChIKeyCONXKLPVEYPOJA-AWEZNQCLSA-N
XLogP2.44
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid
CID 91953036
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610043
N-[1-(2-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43730981
2,3-difluoro-N-(1H-indazol-7-yl)benzamide
CID 62661069
N-(1H-indazol-7-yl)butanamide
CID 36575526
4-hydroxy-N-(1H-indazol-7-yl)pentanamide
CID 79200987
2-cyano-N-(1H-indazol-7-yl)acetamide
CID 110470078
2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid
CID 75516569
ethyl 2-(1H-indazol-7-ylamino)-2-oxoacetate
CID 110471105
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
CID 42953252
3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 42959553

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide?
The IUPAC name of (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide (CID 31817367) is (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide.
What is the SMILES notation for (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide?
The canonical SMILES for (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide is NC(=O)N[C@@H](CC(=O)Nc1cccc2cn[nH]c12)c1ccccc1F.
What is the InChIKey of (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide?
The InChIKey is CONXKLPVEYPOJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-12-6-2-1-5-11(12)14(22-17(19)25)8-15(24)21-13-7-3-4-10-9-20-23-16(10)13/h1-7,9,14H,8H2,(H,20,23)(H,21,24)(H3,19,22,25)/t14-/m0/s1.
What are the key properties of (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide?
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide has a molecular weight of 341.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide is sourced from PubChem (CID 31817367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).