pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone

C18H25N7O — CID 70737384

IUPACpyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCC(NCc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C18H25N7O/c26-18(17-13-20-5-6-21-17)24-8-2-14(3-9-24)22-11-15-10-16-12-19-4-1-7-25(16)23-15/h5-6,10,13-14,19,22H,1-4,7-9,11-12H2
InChIKeyOOADTRLKRVALCQ-UHFFFAOYSA-N
MW355.45 g/mol
LogP0.56
Rot. Bonds4

About pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone

pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 70737384) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone
PubChem CID70737384
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Namepyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCC(NCc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C18H25N7O/c26-18(17-13-20-5-6-21-17)24-8-2-14(3-9-24)22-11-15-10-16-12-19-4-1-7-25(16)23-15/h5-6,10,13-14,19,22H,1-4,7-9,11-12H2
InChIKeyOOADTRLKRVALCQ-UHFFFAOYSA-N
XLogP0.56
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone (CID 70737384) is pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone is O=C(c1cnccn1)N1CCC(NCc2cc3n(n2)CCCNC3)CC1.
What is the InChIKey of pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is OOADTRLKRVALCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c26-18(17-13-20-5-6-21-17)24-8-2-14(3-9-24)22-11-15-10-16-12-19-4-1-7-25(16)23-15/h5-6,10,13-14,19,22H,1-4,7-9,11-12H2.
What are the key properties of pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone?
pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone has a molecular weight of 355.45 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[4-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 70737384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).