2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C18H21N5 — CID 24931286

About 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931286) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 24931286
• Molecular Formula: C18H21N5
• Molecular Weight: 307.40 g/mol
• Exact Mass: 307.18
• IUPAC Name: 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: CC(C)c1ncc2c(n1)CN(Cc1c[nH]c3ncccc13)CC2
• InChI: InChI=1S/C18H21N5/c1-12(2)17-20-8-13-5-7-23(11-16(13)22-17)10-14-9-21-18-15(14)4-3-6-19-18/h3-4,6,8-9,12H,5,7,10-11H2,1-2H3,(H,19,21)
• InChIKey: OUIHWLUIFDTGOJ-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.40
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931286) is 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)c1ncc2c(n1)CN(Cc1c[nH]c3ncccc13)CC2.

What is the InChIKey of 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is OUIHWLUIFDTGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-12(2)17-20-8-13-5-7-23(11-16(13)22-17)10-14-9-21-18-15(14)4-3-6-19-18/h3-4,6,8-9,12H,5,7,10-11H2,1-2H3,(H,19,21).

What are the key properties of 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 307.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).