1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone

C16H26N4O2 — CID 45229566

IUPAC1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone
SMILESCCC(C)c1n[nH]c2c1CN(C(=O)CC1CNCCO1)CC2
InChIInChI=1S/C16H26N4O2/c1-3-11(2)16-13-10-20(6-4-14(13)18-19-16)15(21)8-12-9-17-5-7-22-12/h11-12,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyCJSUWAPUIZGNGK-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.19
Rot. Bonds4

About 1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone

1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone (PubChem CID 45229566) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone
PubChem CID45229566
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone
SMILESCCC(C)c1n[nH]c2c1CN(C(=O)CC1CNCCO1)CC2
InChIInChI=1S/C16H26N4O2/c1-3-11(2)16-13-10-20(6-4-14(13)18-19-16)15(21)8-12-9-17-5-7-22-12/h11-12,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyCJSUWAPUIZGNGK-UHFFFAOYSA-N
XLogP1.19
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone (CID 45229566) is 1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone is CCC(C)c1n[nH]c2c1CN(C(=O)CC1CNCCO1)CC2.
What is the InChIKey of 1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone?
The InChIKey is CJSUWAPUIZGNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-11(2)16-13-10-20(6-4-14(13)18-19-16)15(21)8-12-9-17-5-7-22-12/h11-12,17H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone?
1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone has a molecular weight of 306.41 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-morpholin-2-ylethanone is sourced from PubChem (CID 45229566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).