1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea

C18H22FN7O — CID 167977556

IUPAC1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea
SMILESO=C(Nc1ccnc(C2CCCN2)n1)NC1CCN(c2ncccc2F)C1
InChIInChI=1S/C18H22FN7O/c19-13-3-1-8-22-17(13)26-10-6-12(11-26)23-18(27)25-15-5-9-21-16(24-15)14-4-2-7-20-14/h1,3,5,8-9,12,14,20H,2,4,6-7,10-11H2,(H2,21,23,24,25,27)
InChIKeyQXEIVKDFCLQIQU-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.84
Rot. Bonds4

About 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea

1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea (PubChem CID 167977556) has the molecular formula C18H22FN7O and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea
PubChem CID167977556
Molecular FormulaC18H22FN7O
Molecular Weight371.42 g/mol
Exact Mass371.19
IUPAC Name1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea
SMILESO=C(Nc1ccnc(C2CCCN2)n1)NC1CCN(c2ncccc2F)C1
InChIInChI=1S/C18H22FN7O/c19-13-3-1-8-22-17(13)26-10-6-12(11-26)23-18(27)25-15-5-9-21-16(24-15)14-4-2-7-20-14/h1,3,5,8-9,12,14,20H,2,4,6-7,10-11H2,(H2,21,23,24,25,27)
InChIKeyQXEIVKDFCLQIQU-UHFFFAOYSA-N
XLogP1.84
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea with MolForge

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Related Compounds

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N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
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1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75448750
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
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CID 71921906
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]urea
CID 97222896
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126795682
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 126773696
1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 95781588
2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 84592874
2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 126776040
1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea?
The IUPAC name of 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea (CID 167977556) is 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea?
The canonical SMILES for 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea is O=C(Nc1ccnc(C2CCCN2)n1)NC1CCN(c2ncccc2F)C1.
What is the InChIKey of 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea?
The InChIKey is QXEIVKDFCLQIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7O/c19-13-3-1-8-22-17(13)26-10-6-12(11-26)23-18(27)25-15-5-9-21-16(24-15)14-4-2-7-20-14/h1,3,5,8-9,12,14,20H,2,4,6-7,10-11H2,(H2,21,23,24,25,27).
What are the key properties of 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea?
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea has a molecular weight of 371.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea is sourced from PubChem (CID 167977556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).