[(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone

C14H22N4O2 — CID 70779618

IUPAC[(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESCC[C@H]1COCCN1C(=O)c1n[nH]c2c1CN(C)CC2
InChIInChI=1S/C14H22N4O2/c1-3-10-9-20-7-6-18(10)14(19)13-11-8-17(2)5-4-12(11)15-16-13/h10H,3-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyKJLPZHAWJNQWEH-JTQLQIEISA-N
MW278.36 g/mol
LogP0.65
Rot. Bonds2

About [(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone

[(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone (PubChem CID 70779618) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
PubChem CID70779618
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESCC[C@H]1COCCN1C(=O)c1n[nH]c2c1CN(C)CC2
InChIInChI=1S/C14H22N4O2/c1-3-10-9-20-7-6-18(10)14(19)13-11-8-17(2)5-4-12(11)15-16-13/h10H,3-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyKJLPZHAWJNQWEH-JTQLQIEISA-N
XLogP0.65
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]-oxomethyl]-4-piperidinyl]-4-piperidinyl]-(4-morpholinyl)methanone
CID 16191575
5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161456
N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873445
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 53565796
N-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832112
8-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56871969
3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892340
3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56895561
7-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56916640
[3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 71924834
2-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72912648
[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 75384386

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The IUPAC name of [(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone (CID 70779618) is [(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone.
What is the SMILES notation for [(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The canonical SMILES for [(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone is CC[C@H]1COCCN1C(=O)c1n[nH]c2c1CN(C)CC2.
What is the InChIKey of [(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The InChIKey is KJLPZHAWJNQWEH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-10-9-20-7-6-18(10)14(19)13-11-8-17(2)5-4-12(11)15-16-13/h10H,3-9H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of [(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
[(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethylmorpholin-4-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone is sourced from PubChem (CID 70779618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).