1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one

C26H29N5O3 — CID 45159384

About 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one

1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one (PubChem CID 45159384) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one
• PubChem CID: 45159384
• Molecular Formula: C26H29N5O3
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.23
• IUPAC Name: 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one
• SMILES: CC(C(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccn2)C1)c1ccccc1
• InChI: InChI=1S/C26H29N5O3/c1-19(20-7-3-2-4-8-20)25(32)30-12-10-23-22(18-30)24(26(33)29-13-15-34-16-14-29)28-31(23)17-21-9-5-6-11-27-21/h2-9,11,19H,10,12-18H2,1H3
• InChIKey: DGHLOUVLRPCPNW-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 80.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one?

The IUPAC name of 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one (CID 45159384) is 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one.

What is the SMILES notation for 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one?

The canonical SMILES for 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one is CC(C(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccn2)C1)c1ccccc1.

What is the InChIKey of 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one?

The InChIKey is DGHLOUVLRPCPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-19(20-7-3-2-4-8-20)25(32)30-12-10-23-22(18-30)24(26(33)29-13-15-34-16-14-29)28-31(23)17-21-9-5-6-11-27-21/h2-9,11,19H,10,12-18H2,1H3.

What are the key properties of 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one?

1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one has a molecular weight of 459.55 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 45159384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).