6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine

C23H29FN6O — CID 124967652

IUPAC6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine
SMILESCc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1
InChIInChI=1S/C23H29FN6O/c1-15(2)30-17(4)19(16(3)28-30)13-29-10-11-31-21(14-29)20-6-5-7-23(26-20)27-22-9-8-18(24)12-25-22/h5-9,12,15,21H,10-11,13-14H2,1-4H3,(H,25,26,27)/t21-/m0/s1
InChIKeyIURYQABOPDPRTI-NRFANRHFSA-N
MW424.52 g/mol
LogP4.33
Rot. Bonds6

About 6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine

6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine (PubChem CID 124967652) has the molecular formula C23H29FN6O and a molecular weight of 424.52 g/mol. Its IUPAC name is 6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine
PubChem CID124967652
Molecular FormulaC23H29FN6O
Molecular Weight424.52 g/mol
Exact Mass424.24
IUPAC Name6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine
SMILESCc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1
InChIInChI=1S/C23H29FN6O/c1-15(2)30-17(4)19(16(3)28-30)13-29-10-11-31-21(14-29)20-6-5-7-23(26-20)27-22-9-8-18(24)12-25-22/h5-9,12,15,21H,10-11,13-14H2,1-4H3,(H,25,26,27)/t21-/m0/s1
InChIKeyIURYQABOPDPRTI-NRFANRHFSA-N
XLogP4.33
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 127249203
N-(5-fluoro-2-pyridinyl)-6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]pyridin-2-amine
CID 124961644
N-methyl-6-[(2R)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124972365
4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid
CID 122560972
6-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-2-yl]-N-methylpyridin-2-amine
CID 110112505
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]morpholin-2-yl]pyridin-2-amine
CID 125005462
6-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 124980334
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[6-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 124973044
6-[(2S)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 124966544
6-methyl-N-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 124977186
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-(quinolin-4-ylmethyl)morpholin-2-yl]pyridin-2-amine
CID 124965241
6-[(2S)-4-[(5-fluoro-2-pyridinyl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124983603

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine (CID 124967652) is 6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine is Cc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1.
What is the InChIKey of 6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine?
The InChIKey is IURYQABOPDPRTI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29FN6O/c1-15(2)30-17(4)19(16(3)28-30)13-29-10-11-31-21(14-29)20-6-5-7-23(26-20)27-22-9-8-18(24)12-25-22/h5-9,12,15,21H,10-11,13-14H2,1-4H3,(H,25,26,27)/t21-/m0/s1.
What are the key properties of 6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine?
6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine has a molecular weight of 424.52 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 124967652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).