N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide

C19H26FN7O2 — CID 164637213

IUPACN-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C19H26FN7O2/c1-25-16(4-5-23-25)18(28)21-11-14-3-2-6-27(13-14)19-22-12-15(20)17(24-19)26-7-9-29-10-8-26/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,21,28)/t14-/m1/s1
InChIKeyCMLJYLVPTSMMLY-CQSZACIVSA-N
MW403.46 g/mol
LogP0.83
Rot. Bonds5

About N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide

N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 164637213) has the molecular formula C19H26FN7O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide
PubChem CID164637213
Molecular FormulaC19H26FN7O2
Molecular Weight403.46 g/mol
Exact Mass403.21
IUPAC NameN-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C19H26FN7O2/c1-25-16(4-5-23-25)18(28)21-11-14-3-2-6-27(13-14)19-22-12-15(20)17(24-19)26-7-9-29-10-8-26/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,21,28)/t14-/m1/s1
InChIKeyCMLJYLVPTSMMLY-CQSZACIVSA-N
XLogP0.83
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide (CID 164637213) is N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1.
What is the InChIKey of N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is CMLJYLVPTSMMLY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26FN7O2/c1-25-16(4-5-23-25)18(28)21-11-14-3-2-6-27(13-14)19-22-12-15(20)17(24-19)26-7-9-29-10-8-26/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,21,28)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide?
N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 164637213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).