(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine

C18H27FN4O — CID 129343227

IUPAC(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
SMILESC[C@H](CCc1ccco1)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1
InChIInChI=1S/C18H27FN4O/c1-14(5-6-18-4-3-7-24-18)20-10-17-8-16(19)13-23(17)12-15-9-21-22(2)11-15/h3-4,7,9,11,14,16-17,20H,5-6,8,10,12-13H2,1-2H3/t14-,16+,17+/m1/s1
InChIKeyWEGFVANJWKQPDZ-PVAVHDDUSA-N
MW334.44 g/mol
LogP2.54
Rot. Bonds8

About (2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine

(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 129343227) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is (2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID129343227
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
SMILESC[C@H](CCc1ccco1)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1
InChIInChI=1S/C18H27FN4O/c1-14(5-6-18-4-3-7-24-18)20-10-17-8-16(19)13-23(17)12-15-9-21-22(2)11-15/h3-4,7,9,11,14,16-17,20H,5-6,8,10,12-13H2,1-2H3/t14-,16+,17+/m1/s1
InChIKeyWEGFVANJWKQPDZ-PVAVHDDUSA-N
XLogP2.54
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 129338741
(2S)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129338589
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine
CID 128991000
4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 80682006
[4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 122360339
[5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol
CID 154753606
(4S,5R)-4-[[[(2S)-4-(furan-2-yl)butan-2-yl]amino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129336064
(2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129336245
4-cyano-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]benzamide
CID 128990707
3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004063
1-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-pyridin-4-ylurea
CID 128969276
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-[(3R,4S)-4-hydroxyoxolan-3-yl]acetamide
CID 166277898

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of (2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine (CID 129343227) is (2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for (2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for (2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine is C[C@H](CCc1ccco1)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1.
What is the InChIKey of (2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is WEGFVANJWKQPDZ-PVAVHDDUSA-N. The full InChI is InChI=1S/C18H27FN4O/c1-14(5-6-18-4-3-7-24-18)20-10-17-8-16(19)13-23(17)12-15-9-21-22(2)11-15/h3-4,7,9,11,14,16-17,20H,5-6,8,10,12-13H2,1-2H3/t14-,16+,17+/m1/s1.
What are the key properties of (2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine?
(2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 334.44 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 129343227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).