Azd3463

C24H25ClN6O — CID 56599293

IUPACN-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine
SMILESCOC1=C(C=CC(=C1)N2CCC(CC2)N)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
InChIInChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)
InChIKeyGCYIGMXOIWJGBU-UHFFFAOYSA-N
MW448.90 g/mol
LogP4.20
Rot. Bonds5

About Azd3463

Azd3463 (PubChem CID 56599293) has the molecular formula C24H25ClN6O and a molecular weight of 448.90 g/mol. Its IUPAC name is N-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameAzd3463
PubChem CID56599293
Molecular FormulaC24H25ClN6O
Molecular Weight448.90 g/mol
Exact Mass448.18
IUPAC NameN-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine
SMILESCOC1=C(C=CC(=C1)N2CCC(CC2)N)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
InChIInChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)
InChIKeyGCYIGMXOIWJGBU-UHFFFAOYSA-N
XLogP4.20
TPSA92.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity605

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.90
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

AZ-5104
CID 71496460
Egfr-IN-70
CID 164887498
N2-(4-(4-isopropylpiperazin-1-yl)-2-methoxyphenyl)-N4-(quinolin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 44581765
AZ191
CID 72716071
CID 134560325
CID 134560325
Egfr-IN-69
CID 151183629
27-Chloro-4-ethylsulfonyl-19-morpholin-4-yl-10,17-dioxa-4,23,25,28-tetrazapentacyclo[22.3.1.15,9.118,22.02,6]triaconta-1(28),2,5,7,9(30),18,20,22(29),24,26-decaene
CID 163359802
N-(4-Methoxy-5-{[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino}-2-{4-methylpiperazin-1-yl}phenyl)prop-2-enamide
CID 86677276
Pdgfr-IN-1
CID 156704693
4-N-(1H-indazol-6-yl)-2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 156704697
4-N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)pyrimidine-2,4-diamine
CID 10238471
N-(3-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)pyrimidin-2-amine
CID 10288118

Frequently Asked Questions

What is the IUPAC name of Azd3463?
The IUPAC name of Azd3463 (CID 56599293) is N-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for Azd3463?
The canonical SMILES for Azd3463 is COC1=C(C=CC(=C1)N2CCC(CC2)N)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl.
What is the InChIKey of Azd3463?
The InChIKey is GCYIGMXOIWJGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30).
What are the key properties of Azd3463?
Azd3463 has a molecular weight of 448.90 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Azd3463 is sourced from PubChem (CID 56599293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).