1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea

C23H25FN4O3 — CID 10151120

IUPAC1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea
SMILESO=C(Nc1cccnc1OCCO)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C23H25FN4O3/c24-19-6-5-17-12-16(3-4-18(17)13-19)14-28-9-7-20(15-28)26-23(30)27-21-2-1-8-25-22(21)31-11-10-29/h1-6,8,12-13,20,29H,7,9-11,14-15H2,(H2,26,27,30)/t20-/m1/s1
InChIKeyGDTFUHGUMCYOTP-HXUWFJFHSA-N
MW424.48 g/mol
LogP3.14
Rot. Bonds7

About 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea

1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea (PubChem CID 10151120) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea
PubChem CID10151120
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea
SMILESO=C(Nc1cccnc1OCCO)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C23H25FN4O3/c24-19-6-5-17-12-16(3-4-18(17)13-19)14-28-9-7-20(15-28)26-23(30)27-21-2-1-8-25-22(21)31-11-10-29/h1-6,8,12-13,20,29H,7,9-11,14-15H2,(H2,26,27,30)/t20-/m1/s1
InChIKeyGDTFUHGUMCYOTP-HXUWFJFHSA-N
XLogP3.14
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-[(3S)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 99838682
methyl 2-[4-[2-[[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethylidene]piperidine-1-carbonyl]pyridine-3-carboxylate
CID 139984156
2-[4-[(2-ethoxy-3-pyridinyl)carbamoylamino]piperidin-1-yl]acetamide
CID 56809245
1-(2,4-difluorophenyl)-3-[(3R)-1-(pyridin-2-ylmethyl)azepan-3-yl]urea
CID 96578894
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methoxyphenyl)urea
CID 87008877
N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(2-hydroxybenzoyl)piperidin-4-ylidene]acetamide
CID 56678087
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049579
1-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 134801120
sodium 4-[2-[[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethylidene]cyclohexane-1-carboxylate
CID 139984148
N-[1-[[3-[4-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]butoxy]phenyl]methyl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 11952692
N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71460524

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea?
The IUPAC name of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea (CID 10151120) is 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea is O=C(Nc1cccnc1OCCO)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1.
What is the InChIKey of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea?
The InChIKey is GDTFUHGUMCYOTP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25FN4O3/c24-19-6-5-17-12-16(3-4-18(17)13-19)14-28-9-7-20(15-28)26-23(30)27-21-2-1-8-25-22(21)31-11-10-29/h1-6,8,12-13,20,29H,7,9-11,14-15H2,(H2,26,27,30)/t20-/m1/s1.
What are the key properties of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea?
1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea has a molecular weight of 424.48 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(2-hydroxyethoxy)-3-pyridinyl]urea is sourced from PubChem (CID 10151120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).