N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide

C27H31F2N7O3 — CID 178074212

IUPACN-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCN(C(=O)C2CCn3nccc3C2)C(C)(C)C1
InChIInChI=1S/C27H31F2N7O3/c1-17(25(37)33-23-14-31-24(15-30-23)39-22-5-4-19(28)13-21(22)29)34-10-11-35(27(2,3)16-34)26(38)18-7-9-36-20(12-18)6-8-32-36/h4-6,8,13-15,17-18H,7,9-12,16H2,1-3H3,(H,30,33,37)
InChIKeyDTPRLPSLCPJXBM-UHFFFAOYSA-N
MW539.59 g/mol
LogP3.26
Rot. Bonds6

About N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide

N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide (PubChem CID 178074212) has the molecular formula C27H31F2N7O3 and a molecular weight of 539.59 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide
PubChem CID178074212
Molecular FormulaC27H31F2N7O3
Molecular Weight539.59 g/mol
Exact Mass539.25
IUPAC NameN-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCN(C(=O)C2CCn3nccc3C2)C(C)(C)C1
InChIInChI=1S/C27H31F2N7O3/c1-17(25(37)33-23-14-31-24(15-30-23)39-22-5-4-19(28)13-21(22)29)34-10-11-35(27(2,3)16-34)26(38)18-7-9-36-20(12-18)6-8-32-36/h4-6,8,13-15,17-18H,7,9-12,16H2,1-3H3,(H,30,33,37)
InChIKeyDTPRLPSLCPJXBM-UHFFFAOYSA-N
XLogP3.26
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.59
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide with MolForge

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Related Compounds

N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide
CID 174230836
bis((2S)-2-[(3S)-4,4-difluoro-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide);dihydrochloride
CID 165054488
(E)-[(2E)-3-[1-[1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]amino]-1-oxopropan-2-yl]-4,4-difluoropiperidin-3-yl]penta-2,4-dienylidene]-methoxyazanium
CID 163237748
4-[4-[1-[[5-(2,4-difluorophenoxy)-2-pyridinyl]amino]-1-oxopropan-2-yl]morpholin-2-yl]-1-oxidopyridin-1-ium-2-carboxamide
CID 175724284
2-[4,4-difluoro-3-[5-(morpholin-4-ylmethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]propanamide
CID 174230924
4-[(3S)-1-[(2S)-1-[[5-(2,4-difluorophenoxy)-2-pyridinyl]amino]-1-oxopropan-2-yl]-4,4-difluoropiperidin-3-yl]pyridine-2-carboxamide
CID 164734918
(2S)-2-[(3S)-4,4-difluoro-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 164734840
2-[(3S)-4,4-difluoro-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]-N-[5-(2,3,4-trifluorophenoxy)pyrazin-2-yl]propanamide
CID 174231024
(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 163237982
2-[4,4-difluoro-3-[5-(methylaminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 174230826
N-[5-(2,6-difluorophenoxy)pyrazin-2-yl]-2-[(3S)-4,4-difluoro-3-pyridin-4-ylpiperidin-1-yl]propanamide
CID 174231045
(2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide
CID 42561688

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide (CID 178074212) is N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCN(C(=O)C2CCn3nccc3C2)C(C)(C)C1.
What is the InChIKey of N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is DTPRLPSLCPJXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N7O3/c1-17(25(37)33-23-14-31-24(15-30-23)39-22-5-4-19(28)13-21(22)29)34-10-11-35(27(2,3)16-34)26(38)18-7-9-36-20(12-18)6-8-32-36/h4-6,8,13-15,17-18H,7,9-12,16H2,1-3H3,(H,30,33,37).
What are the key properties of N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide?
N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 539.59 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenoxy)pyrazin-2-yl]-2-[3,3-dimethyl-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 178074212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).