morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone

C23H28N4O3 — CID 129323519

IUPACmorpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESC#CCOc1ccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)cc1
InChIInChI=1S/C23H28N4O3/c1-2-11-30-20-5-3-18(4-6-20)15-24-16-19-7-8-27-22(14-19)21(17-25-27)23(28)26-9-12-29-13-10-26/h1,3-6,17,19,24H,7-16H2/t19-/m1/s1
InChIKeyBIXJKKMBWMMIFS-LJQANCHMSA-N
MW408.50 g/mol
LogP1.72
Rot. Bonds7

About morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone

morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone (PubChem CID 129323519) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
PubChem CID129323519
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Namemorpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESC#CCOc1ccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)cc1
InChIInChI=1S/C23H28N4O3/c1-2-11-30-20-5-3-18(4-6-20)15-24-16-19-7-8-27-22(14-19)21(17-25-27)23(28)26-9-12-29-13-10-26/h1,3-6,17,19,24H,7-16H2/t19-/m1/s1
InChIKeyBIXJKKMBWMMIFS-LJQANCHMSA-N
XLogP1.72
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide
CID 129324258
3-cyano-N-[[(5R)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]thiophene-2-carboxamide
CID 129323919
[5-[[(6-methoxy-2-pyridinyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 128971210
N-[[(5R)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]pyridine-3-carboxamide
CID 129323478
5-[[(1-methylpyrrol-3-yl)methylamino]methyl]-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128994905
2-[1-(4-prop-2-ynoxybenzoyl)piperidin-4-yl]acetic acid
CID 119178054
(5S)-5-[[(5-bromothiophen-3-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129474634
(5S)-5-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 100630985
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide
CID 128971505
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425
[5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 154754441

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone (CID 129323519) is morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone is C#CCOc1ccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCOCC4)c3C2)cc1.
What is the InChIKey of morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is BIXJKKMBWMMIFS-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-2-11-30-20-5-3-18(4-6-20)15-24-16-19-7-8-27-22(14-19)21(17-25-27)23(28)26-9-12-29-13-10-26/h1,3-6,17,19,24H,7-16H2/t19-/m1/s1.
What are the key properties of morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone?
morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 408.50 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(5R)-5-[[(4-prop-2-ynoxyphenyl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 129323519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).