1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone

C17H21N5O2 — CID 146361977

IUPAC1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)C4CC4)c3n2)CC1
InChIInChI=1S/C17H21N5O2/c1-10(23)22-6-4-12(5-7-22)20-14-9-19-17-15(21-14)13(8-18-17)16(24)11-2-3-11/h8-9,11-12H,2-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyOOFSCCSIHILSQH-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.97
Rot. Bonds4

About 1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone

1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 146361977) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID146361977
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)C4CC4)c3n2)CC1
InChIInChI=1S/C17H21N5O2/c1-10(23)22-6-4-12(5-7-22)20-14-9-19-17-15(21-14)13(8-18-17)16(24)11-2-3-11/h8-9,11-12H,2-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyOOFSCCSIHILSQH-UHFFFAOYSA-N
XLogP1.97
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[(1-prop-2-enoylpiperidin-4-yl)amino]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122674095
N-butyl-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118115928
N-propan-2-yl-2-[[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118116109
N-[(2S)-1-methoxypropan-2-yl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118116077
N-[(1R,2S)-2-fluorocyclopentyl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118115517
N-[(4-methoxyphenyl)methyl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673859
N-[(2R)-2-(cyanomethyl)butyl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 163468189
N-ethyl-2-[(1-prop-2-enoylpiperidin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673913
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2-[(1-prop-2-enoylpiperidin-4-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122674035
2-[[1-(1-hydroxyprop-2-enyl)piperidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 130377839
N-ethyl-2-[[(2S,4S)-2-methyl-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673720
2-[[(4S)-3-methoxy-1-prop-2-enoylpiperidin-4-yl]amino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 145183218

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone (CID 146361977) is 1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)C4CC4)c3n2)CC1.
What is the InChIKey of 1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is OOFSCCSIHILSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10(23)22-6-4-12(5-7-22)20-14-9-19-17-15(21-14)13(8-18-17)16(24)11-2-3-11/h8-9,11-12H,2-7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 327.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[7-(cyclopropanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 146361977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).