6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C22H23N7 — CID 70275151

IUPAC6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCc4ccn5ccnc5c4)c3C2)c(N)c1
InChIInChI=1S/C22H23N7/c1-15-2-3-20(18(23)10-15)29-8-5-19-17(13-29)22(27-14-26-19)25-12-16-4-7-28-9-6-24-21(28)11-16/h2-4,6-7,9-11,14H,5,8,12-13,23H2,1H3,(H,25,26,27)
InChIKeyRYFCPNJSNMQETP-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.19
Rot. Bonds4

About 6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 70275151) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID70275151
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(NCc4ccn5ccnc5c4)c3C2)c(N)c1
InChIInChI=1S/C22H23N7/c1-15-2-3-20(18(23)10-15)29-8-5-19-17(13-29)22(27-14-26-19)25-12-16-4-7-28-9-6-24-21(28)11-16/h2-4,6-7,9-11,14H,5,8,12-13,23H2,1H3,(H,25,26,27)
InChIKeyRYFCPNJSNMQETP-UHFFFAOYSA-N
XLogP3.19
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 70275151) is 6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(NCc4ccn5ccnc5c4)c3C2)c(N)c1.
What is the InChIKey of 6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is RYFCPNJSNMQETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-15-2-3-20(18(23)10-15)29-8-5-19-17(13-29)22(27-14-26-19)25-12-16-4-7-28-9-6-24-21(28)11-16/h2-4,6-7,9-11,14H,5,8,12-13,23H2,1H3,(H,25,26,27).
What are the key properties of 6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 385.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-methylphenyl)-N-(imidazo[1,2-a]pyridin-7-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70275151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).