4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide

C23H21N5O3 — CID 162519560

About 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide

4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide (PubChem CID 162519560) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
• PubChem CID: 162519560
• Molecular Formula: C23H21N5O3
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.16
• IUPAC Name: 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
• SMILES: O=C(N[C@H]1CCN(c2ncc(CO)cn2)C1)c1ccc(-c2nccc3occc23)cc1
• InChI: InChI=1S/C23H21N5O3/c29-14-15-11-25-23(26-12-15)28-9-6-18(13-28)27-22(30)17-3-1-16(2-4-17)21-19-7-10-31-20(19)5-8-24-21/h1-5,7-8,10-12,18,29H,6,9,13-14H2,(H,27,30)/t18-/m0/s1
• InChIKey: WXFUYSRAFXGMFB-SFHVURJKSA-N
• XLogP: 2.79
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide?

The IUPAC name of 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide (CID 162519560) is 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide.

What is the SMILES notation for 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide?

The canonical SMILES for 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCN(c2ncc(CO)cn2)C1)c1ccc(-c2nccc3occc23)cc1.

What is the InChIKey of 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide?

The InChIKey is WXFUYSRAFXGMFB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-14-15-11-25-23(26-12-15)28-9-6-18(13-28)27-22(30)17-3-1-16(2-4-17)21-19-7-10-31-20(19)5-8-24-21/h1-5,7-8,10-12,18,29H,6,9,13-14H2,(H,27,30)/t18-/m0/s1.

What are the key properties of 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide?

4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide has a molecular weight of 415.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 162519560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).