[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone

C20H19F2N5O3 — CID 155255520

IUPAC[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone
SMILESO=C(c1cc2ccccn2c1)N1CCc2[nH]nc(C(=O)N3CCOC(F)(F)C3)c2C1
InChIInChI=1S/C20H19F2N5O3/c21-20(22)12-27(7-8-30-20)19(29)17-15-11-26(6-4-16(15)23-24-17)18(28)13-9-14-3-1-2-5-25(14)10-13/h1-3,5,9-10H,4,6-8,11-12H2,(H,23,24)
InChIKeyMOCWOLPUHPCWRF-UHFFFAOYSA-N
MW415.40 g/mol
LogP1.93
Rot. Bonds2

About [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone

[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone (PubChem CID 155255520) has the molecular formula C20H19F2N5O3 and a molecular weight of 415.40 g/mol. Its IUPAC name is [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone.

Molecular Properties

Compound Name[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone
PubChem CID155255520
Molecular FormulaC20H19F2N5O3
Molecular Weight415.40 g/mol
Exact Mass415.15
IUPAC Name[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone
SMILESO=C(c1cc2ccccn2c1)N1CCc2[nH]nc(C(=O)N3CCOC(F)(F)C3)c2C1
InChIInChI=1S/C20H19F2N5O3/c21-20(22)12-27(7-8-30-20)19(29)17-15-11-26(6-4-16(15)23-24-17)18(28)13-9-14-3-1-2-5-25(14)10-13/h1-3,5,9-10H,4,6-8,11-12H2,(H,23,24)
InChIKeyMOCWOLPUHPCWRF-UHFFFAOYSA-N
XLogP1.93
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(indolizine-2-carbonyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 155255293
(2-bromophenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914446
1-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97461866
furan-3-yl-[3-(4-phenylpiperazine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076151
(4-ethylphenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914447
[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone
CID 154798734
(2,2-difluoromorpholin-4-yl)-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111263
1H-indol-2-yl-[3-(1,2-oxazolidine-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 146783417
5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 110875657
[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
CID 142576967
cyclobutyl-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 42873495
(3,5-dimethylphenyl)-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46076122

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone?
The IUPAC name of [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone (CID 155255520) is [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone.
What is the SMILES notation for [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone?
The canonical SMILES for [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone is O=C(c1cc2ccccn2c1)N1CCc2[nH]nc(C(=O)N3CCOC(F)(F)C3)c2C1.
What is the InChIKey of [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone?
The InChIKey is MOCWOLPUHPCWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O3/c21-20(22)12-27(7-8-30-20)19(29)17-15-11-26(6-4-16(15)23-24-17)18(28)13-9-14-3-1-2-5-25(14)10-13/h1-3,5,9-10H,4,6-8,11-12H2,(H,23,24).
What are the key properties of [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone?
[3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone has a molecular weight of 415.40 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoromorpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-indolizin-2-ylmethanone is sourced from PubChem (CID 155255520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).