4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine

C22H21N7 — CID 170641373

IUPAC4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
SMILESNc1cc(-c2ccc3ncnc(N4CCN(c5ccccc5)CC4)c3n2)ccn1
InChIInChI=1S/C22H21N7/c23-20-14-16(8-9-24-20)18-6-7-19-21(27-18)22(26-15-25-19)29-12-10-28(11-13-29)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H2,23,24)
InChIKeyWSQRZHYQPDNTRH-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.00
Rot. Bonds3

About 4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine

4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine (PubChem CID 170641373) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
PubChem CID170641373
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine
SMILESNc1cc(-c2ccc3ncnc(N4CCN(c5ccccc5)CC4)c3n2)ccn1
InChIInChI=1S/C22H21N7/c23-20-14-16(8-9-24-20)18-6-7-19-21(27-18)22(26-15-25-19)29-12-10-28(11-13-29)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H2,23,24)
InChIKeyWSQRZHYQPDNTRH-UHFFFAOYSA-N
XLogP3.00
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine?
The IUPAC name of 4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine (CID 170641373) is 4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine is Nc1cc(-c2ccc3ncnc(N4CCN(c5ccccc5)CC4)c3n2)ccn1.
What is the InChIKey of 4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine?
The InChIKey is WSQRZHYQPDNTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c23-20-14-16(8-9-24-20)18-6-7-19-21(27-18)22(26-15-25-19)29-12-10-28(11-13-29)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H2,23,24).
What are the key properties of 4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine?
4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine has a molecular weight of 383.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-6-yl]pyridin-2-amine is sourced from PubChem (CID 170641373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).