N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride

C30H30ClN5O2 — CID 44531688

About N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride

N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 44531688) has the molecular formula C30H30ClN5O2 and a molecular weight of 528.06 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
• PubChem CID: 44531688
• Molecular Formula: C30H30ClN5O2
• Molecular Weight: 528.06 g/mol
• Exact Mass: 527.21
• IUPAC Name: N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride
• SMILES: Cl.c1ccc(COc2ccc(Nc3ncnc4cnc(-c5ccc(CN6CCCCC6)o5)cc34)cc2)cc1
• InChI: InChI=1S/C30H29N5O2.ClH/c1-3-7-22(8-4-1)20-36-24-11-9-23(10-12-24)34-30-26-17-27(31-18-28(26)32-21-33-30)29-14-13-25(37-29)19-35-15-5-2-6-16-35;/h1,3-4,7-14,17-18,21H,2,5-6,15-16,19-20H2,(H,32,33,34);1H
• InChIKey: PCQISVMHBOOQHV-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 76.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.06
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?

The IUPAC name of N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride (CID 44531688) is N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride.

What is the SMILES notation for N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?

The canonical SMILES for N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride is Cl.c1ccc(COc2ccc(Nc3ncnc4cnc(-c5ccc(CN6CCCCC6)o5)cc34)cc2)cc1.

What is the InChIKey of N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?

The InChIKey is PCQISVMHBOOQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2.ClH/c1-3-7-22(8-4-1)20-36-24-11-9-23(10-12-24)34-30-26-17-27(31-18-28(26)32-21-33-30)29-14-13-25(37-29)19-35-15-5-2-6-16-35;/h1,3-4,7-14,17-18,21H,2,5-6,15-16,19-20H2,(H,32,33,34);1H.

What are the key properties of N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride?

N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 528.06 g/mol, XLogP of 7.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylmethoxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 44531688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).