1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea

C20H22FN5O — CID 97434519

IUPAC1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)Nc1cccc2cn[nH]c12
InChIInChI=1S/C20H22FN5O/c21-16-8-6-14(7-9-16)18(26-10-1-2-11-26)13-22-20(27)24-17-5-3-4-15-12-23-25-19(15)17/h3-9,12,18H,1-2,10-11,13H2,(H,23,25)(H2,22,24,27)/t18-/m1/s1
InChIKeyZEWVSMDVBDLACQ-GOSISDBHSA-N
MW367.43 g/mol
LogP3.66
Rot. Bonds5

About 1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea

1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea (PubChem CID 97434519) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea
PubChem CID97434519
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)Nc1cccc2cn[nH]c12
InChIInChI=1S/C20H22FN5O/c21-16-8-6-14(7-9-16)18(26-10-1-2-11-26)13-22-20(27)24-17-5-3-4-15-12-23-25-19(15)17/h3-9,12,18H,1-2,10-11,13H2,(H,23,25)(H2,22,24,27)/t18-/m1/s1
InChIKeyZEWVSMDVBDLACQ-GOSISDBHSA-N
XLogP3.66
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-3-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]urea
CID 118788168
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea
CID 17460329
1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 43016379
1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenyl)urea
CID 43956378
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624
6-amino-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 91834380
1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 30293942
1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 43956388
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea?
The IUPAC name of 1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea (CID 97434519) is 1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea.
What is the SMILES notation for 1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea?
The canonical SMILES for 1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea is O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)Nc1cccc2cn[nH]c12.
What is the InChIKey of 1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea?
The InChIKey is ZEWVSMDVBDLACQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-16-8-6-14(7-9-16)18(26-10-1-2-11-26)13-22-20(27)24-17-5-3-4-15-12-23-25-19(15)17/h3-9,12,18H,1-2,10-11,13H2,(H,23,25)(H2,22,24,27)/t18-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea?
1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea has a molecular weight of 367.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indazol-7-yl)urea is sourced from PubChem (CID 97434519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).