N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide

C18H25N7O2 — CID 128992772

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
SMILESCc1[nH]ncc1CNC(=O)N1CCOC(c2ccnc(N3CCCC3)n2)C1
InChIInChI=1S/C18H25N7O2/c1-13-14(11-21-23-13)10-20-18(26)25-8-9-27-16(12-25)15-4-5-19-17(22-15)24-6-2-3-7-24/h4-5,11,16H,2-3,6-10,12H2,1H3,(H,20,26)(H,21,23)
InChIKeyJQEUAEAREYZZKF-UHFFFAOYSA-N
MW371.45 g/mol
LogP1.39
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide (PubChem CID 128992772) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
PubChem CID128992772
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
SMILESCc1[nH]ncc1CNC(=O)N1CCOC(c2ccnc(N3CCCC3)n2)C1
InChIInChI=1S/C18H25N7O2/c1-13-14(11-21-23-13)10-20-18(26)25-8-9-27-16(12-25)15-4-5-19-17(22-15)24-6-2-3-7-24/h4-5,11,16H,2-3,6-10,12H2,1H3,(H,20,26)(H,21,23)
InChIKeyJQEUAEAREYZZKF-UHFFFAOYSA-N
XLogP1.39
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129334104
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 129341515
N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide
CID 112729713
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 128990958
(5-propan-2-yl-1H-pyrazol-3-yl)-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129331728
6-methyl-4-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 128993964
[(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129338509
4-methyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]ethyl]-1,2,4-triazol-3-one
CID 128995763
(2R)-1-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129340939
1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 128967255
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 129473669
(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide
CID 129478043

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide (CID 128992772) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide is Cc1[nH]ncc1CNC(=O)N1CCOC(c2ccnc(N3CCCC3)n2)C1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
The InChIKey is JQEUAEAREYZZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-13-14(11-21-23-13)10-20-18(26)25-8-9-27-16(12-25)15-4-5-19-17(22-15)24-6-2-3-7-24/h4-5,11,16H,2-3,6-10,12H2,1H3,(H,20,26)(H,21,23).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 128992772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).