2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C₂₇H₃₈N₈O — CID 134325721

About 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 134325721) has the molecular formula C₂₇H₃₈N₈O and a molecular weight of 490.66 g/mol. Its IUPAC name is 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 134325721
• Molecular Formula: C₂₇H₃₈N₈O
• Molecular Weight: 490.66 g/mol
• Exact Mass: 490.32
• IUPAC Name: 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: CC(C)c1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)nc2N2CCNCC2)C1
• InChI: InChI=1S/C27H38N8O/c1-18(2)20-6-7-23-22(15-29-32-23)25(20)35-12-8-21-24(16-35)30-27(36-17-19-5-4-11-33(19)3)31-26(21)34-13-9-28-10-14-34/h6-7,15,18-19,28H,4-5,8-14,16-17H2,1-3H3,(H,29,32)/t19-/m0/s1
• InChIKey: AWOMNSNIIKLCIB-IBGZPJMESA-N
• XLogP: 2.92
• TPSA: 85.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.66
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 134325721) is 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)c1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)nc2N2CCNCC2)C1.

What is the InChIKey of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is AWOMNSNIIKLCIB-IBGZPJMESA-N. The full InChI is InChI=1S/C27H38N8O/c1-18(2)20-6-7-23-22(15-29-32-23)25(20)35-12-8-21-24(16-35)30-27(36-17-19-5-4-11-33(19)3)31-26(21)34-13-9-28-10-14-34/h6-7,15,18-19,28H,4-5,8-14,16-17H2,1-3H3,(H,29,32)/t19-/m0/s1.

What are the key properties of 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 490.66 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-7-(5-propan-2-yl-1H-indazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 134325721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134325721 — identifiers, structure, computed properties (public domain)

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