2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine

C26H30N8O — CID 166123349

About 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine

2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine (PubChem CID 166123349) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine.

Molecular Properties

• Compound Name: 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine
• PubChem CID: 166123349
• Molecular Formula: C26H30N8O
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.25
• IUPAC Name: 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine
• SMILES: Cc1nc2nc([C@H]3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc(-c3cn4c(n3)CCCC4)c2nc1C
• InChI: InChI=1S/C26H30N8O/c1-15-16(2)29-26-24(28-15)23(20-14-33-9-4-3-5-22(33)30-20)31-25(32-26)17-8-10-35-21(11-17)18-12-27-34(13-18)19-6-7-19/h12-14,17,19,21H,3-11H2,1-2H3/t17-,21+/m0/s1
• InChIKey: ZTUXHVPWFYGYCN-LAUBAEHRSA-N
• XLogP: 4.40
• TPSA: 96.43 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine?

The IUPAC name of 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine (CID 166123349) is 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine.

What is the SMILES notation for 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine?

The canonical SMILES for 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine is Cc1nc2nc([C@H]3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc(-c3cn4c(n3)CCCC4)c2nc1C.

What is the InChIKey of 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine?

The InChIKey is ZTUXHVPWFYGYCN-LAUBAEHRSA-N. The full InChI is InChI=1S/C26H30N8O/c1-15-16(2)29-26-24(28-15)23(20-14-33-9-4-3-5-22(33)30-20)31-25(32-26)17-8-10-35-21(11-17)18-12-27-34(13-18)19-6-7-19/h12-14,17,19,21H,3-11H2,1-2H3/t17-,21+/m0/s1.

What are the key properties of 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine?

2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine has a molecular weight of 470.58 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)pteridine is sourced from PubChem (CID 166123349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).