N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide

C16H21FN6O — CID 154796675

IUPACN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)c1cncnc1
InChIInChI=1S/C16H21FN6O/c1-21(16(24)13-5-18-11-19-6-13)10-15-3-14(17)9-23(15)8-12-4-20-22(2)7-12/h4-7,11,14-15H,3,8-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyZLJIETSTCFFXBO-GJZGRUSLSA-N
MW332.38 g/mol
LogP0.89
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide

N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide (PubChem CID 154796675) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide
PubChem CID154796675
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)c1cncnc1
InChIInChI=1S/C16H21FN6O/c1-21(16(24)13-5-18-11-19-6-13)10-15-3-14(17)9-23(15)8-12-4-20-22(2)7-12/h4-7,11,14-15H,3,8-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyZLJIETSTCFFXBO-GJZGRUSLSA-N
XLogP0.89
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,1,5-trimethylpyrrole-2-carboxamide
CID 128991310
2-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 128990564
4-fluoro-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 128972423
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide
CID 128994191
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 128969461
[4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 122360339
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]-N-methyl-1-[3-(trifluoromethyl)cyclobutyl]methanamine
CID 166276298
(2R)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-methylsulfanylbutanamide
CID 129341594
4-cyano-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]benzamide
CID 128990707
(1S)-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 129337522
1-[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 128971385

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide (CID 154796675) is N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide is CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)c1cncnc1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide?
The InChIKey is ZLJIETSTCFFXBO-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-21(16(24)13-5-18-11-19-6-13)10-15-3-14(17)9-23(15)8-12-4-20-22(2)7-12/h4-7,11,14-15H,3,8-10H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 154796675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).