(3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine

C18H20FN5O — CID 97337747

IUPAC(3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCc1ccc(-c2[nH]ncc2CN[C@@H]2CCN(c3ncccc3F)C2)o1
InChIInChI=1S/C18H20FN5O/c1-12-4-5-16(25-12)17-13(10-22-23-17)9-21-14-6-8-24(11-14)18-15(19)3-2-7-20-18/h2-5,7,10,14,21H,6,8-9,11H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyMHAWOYGXUUTSQT-CQSZACIVSA-N
MW341.39 g/mol
LogP2.88
Rot. Bonds5

About (3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine

(3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine (PubChem CID 97337747) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
PubChem CID97337747
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name(3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCc1ccc(-c2[nH]ncc2CN[C@@H]2CCN(c3ncccc3F)C2)o1
InChIInChI=1S/C18H20FN5O/c1-12-4-5-16(25-12)17-13(10-22-23-17)9-21-14-6-8-24(11-14)18-15(19)3-2-7-20-18/h2-5,7,10,14,21H,6,8-9,11H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyMHAWOYGXUUTSQT-CQSZACIVSA-N
XLogP2.88
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
CID 46238526
[5-(4-Fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-ylpyridin-3-yl)methyl]azanium
CID 38052390
4-N-[(E)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-5-nitropyrimidine-4,6-diamine
CID 9678525
1-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-2-ylpiperazine
CID 16187231
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 16187303
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-2-pyridin-4-ylethanamine
CID 16190175
3-[4-[4-(5-Methylfuran-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]propanenitrile
CID 164616681
3-Tert-butyl-5-[5-(furan-3-yl)-2-pyridinyl]-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365610
3-Tert-butyl-5-[5-(furan-3-yl)-2-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58366115
5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-3-carboxamide
CID 58486570
5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxylic acid
CID 58486579
methyl 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxylate
CID 58486589

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine (CID 97337747) is (3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine is Cc1ccc(-c2[nH]ncc2CN[C@@H]2CCN(c3ncccc3F)C2)o1.
What is the InChIKey of (3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
The InChIKey is MHAWOYGXUUTSQT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12-4-5-16(25-12)17-13(10-22-23-17)9-21-14-6-8-24(11-14)18-15(19)3-2-7-20-18/h2-5,7,10,14,21H,6,8-9,11H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
(3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine has a molecular weight of 341.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97337747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).