2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol

C17H24FN5O — CID 128974220

IUPAC2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)n1
InChIInChI=1S/C17H24FN5O/c1-12-3-4-17(24)16(21-12)9-19-8-15-7-13(18)10-23(15)11-14-5-6-20-22(14)2/h3-6,13,15,19,24H,7-11H2,1-2H3/t13-,15-/m0/s1
InChIKeySAOUOTRGKMHPPJ-ZFWWWQNUSA-N
MW333.41 g/mol
LogP1.53
Rot. Bonds6

About 2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol

2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 128974220) has the molecular formula C17H24FN5O and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol
PubChem CID128974220
Molecular FormulaC17H24FN5O
Molecular Weight333.41 g/mol
Exact Mass333.20
IUPAC Name2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)n1
InChIInChI=1S/C17H24FN5O/c1-12-3-4-17(24)16(21-12)9-19-8-15-7-13(18)10-23(15)11-14-5-6-20-22(14)2/h3-6,13,15,19,24H,7-11H2,1-2H3/t13-,15-/m0/s1
InChIKeySAOUOTRGKMHPPJ-ZFWWWQNUSA-N
XLogP1.53
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol (CID 128974220) is 2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)n1.
What is the InChIKey of 2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is SAOUOTRGKMHPPJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H24FN5O/c1-12-3-4-17(24)16(21-12)9-19-8-15-7-13(18)10-23(15)11-14-5-6-20-22(14)2/h3-6,13,15,19,24H,7-11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of 2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol?
2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 333.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 128974220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).