[2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

C16H24N6O2 — CID 67370299

IUPAC[2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCNC1CCCN(c2cnc3[nH]cc(OC(=O)NC(C)C)c3n2)C1
InChIInChI=1S/C16H24N6O2/c1-10(2)20-16(23)24-12-7-18-15-14(12)21-13(8-19-15)22-6-4-5-11(9-22)17-3/h7-8,10-11,17H,4-6,9H2,1-3H3,(H,18,19)(H,20,23)
InChIKeyZOQSZZXGKIWACX-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.64
Rot. Bonds4

About [2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

[2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (PubChem CID 67370299) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is [2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
PubChem CID67370299
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name[2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCNC1CCCN(c2cnc3[nH]cc(OC(=O)NC(C)C)c3n2)C1
InChIInChI=1S/C16H24N6O2/c1-10(2)20-16(23)24-12-7-18-15-14(12)21-13(8-19-15)22-6-4-5-11(9-22)17-3/h7-8,10-11,17H,4-6,9H2,1-3H3,(H,18,19)(H,20,23)
InChIKeyZOQSZZXGKIWACX-UHFFFAOYSA-N
XLogP1.64
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 170788298
CID 170788298
CID 170788398
CID 170788398
CID 170788747
CID 170788747
CID 170788952
CID 170788952
CID 170788981
CID 170788981
CID 170789038
CID 170789038
CID 170788512
CID 170788512
CID 170788893
CID 170788893
CID 170788959
CID 170788959
CID 170788988
CID 170788988
CID 58001693
CID 58001693
CID 67364708
CID 67364708

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The IUPAC name of [2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (CID 67370299) is [2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is CNC1CCCN(c2cnc3[nH]cc(OC(=O)NC(C)C)c3n2)C1.
What is the InChIKey of [2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The InChIKey is ZOQSZZXGKIWACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-10(2)20-16(23)24-12-7-18-15-14(12)21-13(8-19-15)22-6-4-5-11(9-22)17-3/h7-8,10-11,17H,4-6,9H2,1-3H3,(H,18,19)(H,20,23).
What are the key properties of [2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
[2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate has a molecular weight of 332.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylamino)piperidin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 67370299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).