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

C19H26FN7O2 — CID 131939234

IUPACN-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCCN(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)
InChIKeyCMLJYLVPTSMMLY-UHFFFAOYSA-N
MW403.46 g/mol
LogP0.83
Rot. Bonds5

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

N-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 131939234) has the molecular formula C19H26FN7O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide
PubChem CID131939234
Molecular FormulaC19H26FN7O2
Molecular Weight403.46 g/mol
Exact Mass403.21
IUPAC NameN-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1CCCN(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)
InChIKeyCMLJYLVPTSMMLY-UHFFFAOYSA-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

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

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Related Compounds

6-cyclopropyl-N-[1-methyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759834
6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760377
N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-6-morpholin-4-yl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54761471
3-Ethoxy-N-[1-(1-ethyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]pyrazin-2-amine
CID 87053003
[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 130298567
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-3-yl]methanone
CID 130298671
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(1-ethyl-4-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 130341863
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(1-methyl-4-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 130342233
N-(1-ethyl-1H-pyrazol-4-yl)-6-methyl-2-(morpholin-4-yl)pyrimidine-4-carboxamide
CID 56731242
N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}-2-(1H-pyrazol-1-yl)butanamide
CID 70782889
6-methyl-2-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide
CID 91938262
(1-Methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 118740735

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide (CID 131939234) is N-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCC1CCCN(c2ncc(F)c(N3CCOCC3)n2)C1.
What is the InChIKey of N-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is CMLJYLVPTSMMLY-UHFFFAOYSA-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).
What are the key properties of N-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide?
N-[[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-[[1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 131939234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).