3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide

C22H27FN4O3 — CID 129324258

IUPAC3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NC[C@H]1CCn2ncc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C22H27FN4O3/c23-18-4-1-16(2-5-18)3-6-21(28)24-14-17-7-8-27-20(13-17)19(15-25-27)22(29)26-9-11-30-12-10-26/h1-2,4-5,15,17H,3,6-14H2,(H,24,28)/t17-/m0/s1
InChIKeyKSVQBOIFIUTGCP-KRWDZBQOSA-N
MW414.48 g/mol
LogP1.81
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide

3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide (PubChem CID 129324258) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide
PubChem CID129324258
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC Name3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NC[C@H]1CCn2ncc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C22H27FN4O3/c23-18-4-1-16(2-5-18)3-6-21(28)24-14-17-7-8-27-20(13-17)19(15-25-27)22(29)26-9-11-30-12-10-26/h1-2,4-5,15,17H,3,6-14H2,(H,24,28)/t17-/m0/s1
InChIKeyKSVQBOIFIUTGCP-KRWDZBQOSA-N
XLogP1.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-5-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129479397
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
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
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
2,3-dimethyl-N-[[3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]benzamide
CID 128971505
N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128990675
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
[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
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110719904
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
N-[[4-(5-cyclobutyl-1H-pyrazole-3-carbonyl)morpholin-3-yl]methyl]-3-(4-fluorophenyl)propanamide
CID 155964497

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide (CID 129324258) is 3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide is O=C(CCc1ccc(F)cc1)NC[C@H]1CCn2ncc(C(=O)N3CCOCC3)c2C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide?
The InChIKey is KSVQBOIFIUTGCP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27FN4O3/c23-18-4-1-16(2-5-18)3-6-21(28)24-14-17-7-8-27-20(13-17)19(15-25-27)22(29)26-9-11-30-12-10-26/h1-2,4-5,15,17H,3,6-14H2,(H,24,28)/t17-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide?
3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide has a molecular weight of 414.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[(5S)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]propanamide is sourced from PubChem (CID 129324258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).