7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine

C22H24N4 — CID 163581183

IUPAC7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine
SMILESCC(C)c1ccnc2cc(CC(C)(C)c3ccnc4[nH]ccc34)ncc12
InChIInChI=1S/C22H24N4/c1-14(2)16-5-8-23-20-11-15(26-13-18(16)20)12-22(3,4)19-7-10-25-21-17(19)6-9-24-21/h5-11,13-14H,12H2,1-4H3,(H,24,25)
InChIKeyGHQSCSVCGPQVHN-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.15
Rot. Bonds4

About 7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine

7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine (PubChem CID 163581183) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine.

Molecular Properties

Compound Name7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine
PubChem CID163581183
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine
SMILESCC(C)c1ccnc2cc(CC(C)(C)c3ccnc4[nH]ccc34)ncc12
InChIInChI=1S/C22H24N4/c1-14(2)16-5-8-23-20-11-15(26-13-18(16)20)12-22(3,4)19-7-10-25-21-17(19)6-9-24-21/h5-11,13-14H,12H2,1-4H3,(H,24,25)
InChIKeyGHQSCSVCGPQVHN-UHFFFAOYSA-N
XLogP5.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine?
The IUPAC name of 7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine (CID 163581183) is 7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine.
What is the SMILES notation for 7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine?
The canonical SMILES for 7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine is CC(C)c1ccnc2cc(CC(C)(C)c3ccnc4[nH]ccc34)ncc12.
What is the InChIKey of 7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine?
The InChIKey is GHQSCSVCGPQVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-14(2)16-5-8-23-20-11-15(26-13-18(16)20)12-22(3,4)19-7-10-25-21-17(19)6-9-24-21/h5-11,13-14H,12H2,1-4H3,(H,24,25).
What are the key properties of 7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine?
7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine has a molecular weight of 344.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-methyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)propyl]-4-propan-2-yl-1,6-naphthyridine is sourced from PubChem (CID 163581183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).