(3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone

C17H20N4O2 — CID 136567896

IUPAC(3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone
SMILESCC1(C2CC2)COCCN1C(=O)c1ccnc(-n2cccn2)c1
InChIInChI=1S/C17H20N4O2/c1-17(14-3-4-14)12-23-10-9-20(17)16(22)13-5-7-18-15(11-13)21-8-2-6-19-21/h2,5-8,11,14H,3-4,9-10,12H2,1H3
InChIKeyWSMHLNCWHNPHIM-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.91
Rot. Bonds3

About (3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone

(3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone (PubChem CID 136567896) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone
PubChem CID136567896
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone
SMILESCC1(C2CC2)COCCN1C(=O)c1ccnc(-n2cccn2)c1
InChIInChI=1S/C17H20N4O2/c1-17(14-3-4-14)12-23-10-9-20(17)16(22)13-5-7-18-15(11-13)21-8-2-6-19-21/h2,5-8,11,14H,3-4,9-10,12H2,1H3
InChIKeyWSMHLNCWHNPHIM-UHFFFAOYSA-N
XLogP1.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone
CID 136566386
(2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 167772839
[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone
CID 129347528
[(3aR,6aS)-1-ethylspiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1'-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone
CID 154788429
(3aS,6aR)-2-(2-pyrazol-1-ylpyridine-4-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683548
(3-cyclopropyl-3-methylmorpholin-4-yl)-(5-methylsulfonylthiophen-2-yl)methanone
CID 138022165
(3R)-3-ethyl-4-(2-pyrazol-1-ylpyridine-4-carbonyl)-1,4-diazepan-2-one
CID 136586988
(3-cyclopropyl-3-methylmorpholin-4-yl)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methanone
CID 136567866
(3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 136567893
N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide
CID 154737203
5-methyl-2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-2,5,7-triazaspiro[3.4]octan-6-one
CID 154567960
(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107074853

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone?
The IUPAC name of (3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone (CID 136567896) is (3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone.
What is the SMILES notation for (3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone?
The canonical SMILES for (3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone is CC1(C2CC2)COCCN1C(=O)c1ccnc(-n2cccn2)c1.
What is the InChIKey of (3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone?
The InChIKey is WSMHLNCWHNPHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-17(14-3-4-14)12-23-10-9-20(17)16(22)13-5-7-18-15(11-13)21-8-2-6-19-21/h2,5-8,11,14H,3-4,9-10,12H2,1H3.
What are the key properties of (3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone?
(3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone has a molecular weight of 312.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone is sourced from PubChem (CID 136567896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).