propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate

C17H22N4O3 — CID 133470468

IUPACpropan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C17H22N4O3/c1-13(2)24-17(22)15-5-3-6-18-16(15)20-9-10-23-14(11-20)12-21-8-4-7-19-21/h3-8,13-14H,9-12H2,1-2H3
InChIKeyFEKXHEXSOGHHKY-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.75
Rot. Bonds5

About propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate

propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate (PubChem CID 133470468) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate
PubChem CID133470468
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Namepropan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1N1CCOC(Cn2cccn2)C1
InChIInChI=1S/C17H22N4O3/c1-13(2)24-17(22)15-5-3-6-18-16(15)20-9-10-23-14(11-20)12-21-8-4-7-19-21/h3-8,13-14H,9-12H2,1-2H3
InChIKeyFEKXHEXSOGHHKY-UHFFFAOYSA-N
XLogP1.75
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43420791
propan-2-yl 2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)pyridine-3-carboxylate
CID 75522944
propan-2-yl 2-[(3S)-3-[(4-ethylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323448
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
CID 79770247
propan-2-yl 2-[3-[(5-ethylthiophen-2-yl)methyl-methylarsanyl]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 87376536
ethyl 5-methyl-4-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133281940
propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 133471654
N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
CID 164639660
ethyl 2-[(2R)-2-phenylmorpholin-4-yl]pyridine-3-carboxylate
CID 94179717
propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate
CID 133468919
2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435763

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate (CID 133470468) is propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate is CC(C)OC(=O)c1cccnc1N1CCOC(Cn2cccn2)C1.
What is the InChIKey of propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate?
The InChIKey is FEKXHEXSOGHHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-13(2)24-17(22)15-5-3-6-18-16(15)20-9-10-23-14(11-20)12-21-8-4-7-19-21/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate?
propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 133470468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).