2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]

C27H37N5O2 — CID 163374747

About 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]

2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine] (PubChem CID 163374747) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine].

Molecular Properties

• Compound Name: 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]
• PubChem CID: 163374747
• Molecular Formula: C27H37N5O2
• Molecular Weight: 463.63 g/mol
• Exact Mass: 463.29
• IUPAC Name: 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]
• SMILES: CCN1CCC[C@H]1COc1nc2c(c(N3CCNCC3)n1)CCC1(CCCc3ccccc31)O2
• InChI: InChI=1S/C27H37N5O2/c1-2-31-16-6-9-21(31)19-33-26-29-24(32-17-14-28-15-18-32)22-11-13-27(34-25(22)30-26)12-5-8-20-7-3-4-10-23(20)27/h3-4,7,10,21,28H,2,5-6,8-9,11-19H2,1H3/t21-,27?/m0/s1
• InChIKey: VKLIUNYVJWMEKM-LWAJAQLZSA-N
• XLogP: 3.31
• TPSA: 62.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.63
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]?

The IUPAC name of 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine] (CID 163374747) is 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine].

What is the SMILES notation for 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]?

The canonical SMILES for 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine] is CCN1CCC[C@H]1COc1nc2c(c(N3CCNCC3)n1)CCC1(CCCc3ccccc31)O2.

What is the InChIKey of 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]?

The InChIKey is VKLIUNYVJWMEKM-LWAJAQLZSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-2-31-16-6-9-21(31)19-33-26-29-24(32-17-14-28-15-18-32)22-11-13-27(34-25(22)30-26)12-5-8-20-7-3-4-10-23(20)27/h3-4,7,10,21,28H,2,5-6,8-9,11-19H2,1H3/t21-,27?/m0/s1.

What are the key properties of 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]?

2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine] has a molecular weight of 463.63 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine] is sourced from PubChem (CID 163374747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).