1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea

C16H21N5O4 — CID 136565605

IUPAC1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCC1CN(C(=O)c2cnn3cccc(OC)c23)CCO1
InChIInChI=1S/C16H21N5O4/c1-17-16(23)18-8-11-10-20(6-7-25-11)15(22)12-9-19-21-5-3-4-13(24-2)14(12)21/h3-5,9,11H,6-8,10H2,1-2H3,(H2,17,18,23)
InChIKeyCCTUBMOOYUQWQX-UHFFFAOYSA-N
MW347.38 g/mol
LogP0.11
Rot. Bonds4

About 1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea

1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea (PubChem CID 136565605) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea
PubChem CID136565605
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCC1CN(C(=O)c2cnn3cccc(OC)c23)CCO1
InChIInChI=1S/C16H21N5O4/c1-17-16(23)18-8-11-10-20(6-7-25-11)15(22)12-9-19-21-5-3-4-13(24-2)14(12)21/h3-5,9,11H,6-8,10H2,1-2H3,(H2,17,18,23)
InChIKeyCCTUBMOOYUQWQX-UHFFFAOYSA-N
XLogP0.11
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea with MolForge

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Related Compounds

(4-methylpyrazolo[1,5-a]pyridin-3-yl)-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 137345147
1-methyl-3-[[4-[2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]morpholin-2-yl]methyl]urea
CID 167812139
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(4-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 137342067
[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 81212035
1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea
CID 139015420
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 81211064
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea
CID 131691202
(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92758229
(2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone
CID 106688583

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea (CID 136565605) is 1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea is CNC(=O)NCC1CN(C(=O)c2cnn3cccc(OC)c23)CCO1.
What is the InChIKey of 1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea?
The InChIKey is CCTUBMOOYUQWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-17-16(23)18-8-11-10-20(6-7-25-11)15(22)12-9-19-21-5-3-4-13(24-2)14(12)21/h3-5,9,11H,6-8,10H2,1-2H3,(H2,17,18,23).
What are the key properties of 1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea?
1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea has a molecular weight of 347.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)morpholin-2-yl]methyl]-3-methylurea is sourced from PubChem (CID 136565605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).