N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine

C30H24N6O2 — CID 44531689

IUPACN-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4cnc(-c5ccc(CNc6cccnc6)o5)cc34)cc2)cc1
InChIInChI=1S/C30H24N6O2/c1-2-5-21(6-3-1)19-37-24-10-8-22(9-11-24)36-30-26-15-27(33-18-28(26)34-20-35-30)29-13-12-25(38-29)17-32-23-7-4-14-31-16-23/h1-16,18,20,32H,17,19H2,(H,34,35,36)
InChIKeyOWHIHBDLHCKOAP-UHFFFAOYSA-N
MW500.56 g/mol
LogP6.61
Rot. Bonds9

About N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine

N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 44531689) has the molecular formula C30H24N6O2 and a molecular weight of 500.56 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID44531689
Molecular FormulaC30H24N6O2
Molecular Weight500.56 g/mol
Exact Mass500.20
IUPAC NameN-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4cnc(-c5ccc(CNc6cccnc6)o5)cc34)cc2)cc1
InChIInChI=1S/C30H24N6O2/c1-2-5-21(6-3-1)19-37-24-10-8-22(9-11-24)36-30-26-15-27(33-18-28(26)34-20-35-30)29-13-12-25(38-29)17-32-23-7-4-14-31-16-23/h1-16,18,20,32H,17,19H2,(H,34,35,36)
InChIKeyOWHIHBDLHCKOAP-UHFFFAOYSA-N
XLogP6.61
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine (CID 44531689) is N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine is c1ccc(COc2ccc(Nc3ncnc4cnc(-c5ccc(CNc6cccnc6)o5)cc34)cc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is OWHIHBDLHCKOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O2/c1-2-5-21(6-3-1)19-37-24-10-8-22(9-11-24)36-30-26-15-27(33-18-28(26)34-20-35-30)29-13-12-25(38-29)17-32-23-7-4-14-31-16-23/h1-16,18,20,32H,17,19H2,(H,34,35,36).
What are the key properties of N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine?
N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 500.56 g/mol, XLogP of 6.61, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-6-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 44531689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).