[3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone

C17H20N4O2 — CID 136566386

IUPAC[3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(-n2cccn2)c1)N1CCOCC1CC1CC1
InChIInChI=1S/C17H20N4O2/c22-17(20-8-9-23-12-15(20)10-13-2-3-13)14-4-6-18-16(11-14)21-7-1-5-19-21/h1,4-7,11,13,15H,2-3,8-10,12H2
InChIKeyTXVQXUSOZKOTTE-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.91
Rot. Bonds4

About [3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone

[3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone (PubChem CID 136566386) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone
PubChem CID136566386
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(-n2cccn2)c1)N1CCOCC1CC1CC1
InChIInChI=1S/C17H20N4O2/c22-17(20-8-9-23-12-15(20)10-13-2-3-13)14-4-6-18-16(11-14)21-7-1-5-19-21/h1,4-7,11,13,15H,2-3,8-10,12H2
InChIKeyTXVQXUSOZKOTTE-UHFFFAOYSA-N
XLogP1.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone
CID 136567896
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
(3R)-3-ethyl-4-(2-pyrazol-1-ylpyridine-4-carbonyl)-1,4-diazepan-2-one
CID 136586988
(2-pyrazol-1-yl-4-pyridinyl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 167772839
[(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
7-[3-(cyclopropylmethyl)morpholine-4-carbonyl]-4-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 136566419
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 94030793
[3-(cyclopropylmethyl)morpholin-4-yl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
CID 136566415
3-(cyclopropylmethyl)-N-(4-cyclopropylpyrimidin-2-yl)morpholine-4-carboxamide
CID 138007003
[3-(cyclobutylmethyl)morpholin-4-yl]-(7-methylimidazo[1,5-a]pyridin-1-yl)methanone
CID 138058269
3-(cyclopropylmethyl)-N-pyrazolo[1,5-a]pyridin-7-ylmorpholine-4-carboxamide
CID 154784953
1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 136567968

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone?
The IUPAC name of [3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone (CID 136566386) is [3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone.
What is the SMILES notation for [3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone?
The canonical SMILES for [3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone is O=C(c1ccnc(-n2cccn2)c1)N1CCOCC1CC1CC1.
What is the InChIKey of [3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone?
The InChIKey is TXVQXUSOZKOTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(20-8-9-23-12-15(20)10-13-2-3-13)14-4-6-18-16(11-14)21-7-1-5-19-21/h1,4-7,11,13,15H,2-3,8-10,12H2.
What are the key properties of [3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone?
[3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone has a molecular weight of 312.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)morpholin-4-yl]-(2-pyrazol-1-yl-4-pyridinyl)methanone is sourced from PubChem (CID 136566386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).