N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide

C18H17FN4O2 — CID 95583455

IUPACN-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESNC(=O)[C@H](CNC(=O)c1n[nH]c2ccccc12)Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2/c19-13-7-5-11(6-8-13)9-12(17(20)24)10-21-18(25)16-14-3-1-2-4-15(14)22-23-16/h1-8,12H,9-10H2,(H2,20,24)(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyMNEWJPVFGLBHJC-LBPRGKRZSA-N
MW340.36 g/mol
LogP1.78
Rot. Bonds6

About N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide

N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide (PubChem CID 95583455) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide
PubChem CID95583455
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide
SMILESNC(=O)[C@H](CNC(=O)c1n[nH]c2ccccc12)Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2/c19-13-7-5-11(6-8-13)9-12(17(20)24)10-21-18(25)16-14-3-1-2-4-15(14)22-23-16/h1-8,12H,9-10H2,(H2,20,24)(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyMNEWJPVFGLBHJC-LBPRGKRZSA-N
XLogP1.78
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562693
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 47076397
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56821703
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
CID 95136790
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 95137289
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide
CID 56819872
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 95590862
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide (CID 95583455) is N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide is NC(=O)[C@H](CNC(=O)c1n[nH]c2ccccc12)Cc1ccc(F)cc1.
What is the InChIKey of N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide?
The InChIKey is MNEWJPVFGLBHJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-7-5-11(6-8-13)9-12(17(20)24)10-21-18(25)16-14-3-1-2-4-15(14)22-23-16/h1-8,12H,9-10H2,(H2,20,24)(H,21,25)(H,22,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide?
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 95583455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).