3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine

C25H28N6O2 — CID 122648801

IUPAC3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc2c(n1)c(-c1ccccc1OC)nn2C
InChIInChI=1S/C25H28N6O2/c1-31-20-15-27-25(29-24(20)23(30-31)18-6-4-5-7-21(18)32-2)28-19-9-8-17(14-22(19)33-3)16-10-12-26-13-11-16/h4-9,14-16,26H,10-13H2,1-3H3,(H,27,28,29)
InChIKeyRPWRIUTZTUQYNS-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.26
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine

3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine (PubChem CID 122648801) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
PubChem CID122648801
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc2c(n1)c(-c1ccccc1OC)nn2C
InChIInChI=1S/C25H28N6O2/c1-31-20-15-27-25(29-24(20)23(30-31)18-6-4-5-7-21(18)32-2)28-19-9-8-17(14-22(19)33-3)16-10-12-26-13-11-16/h4-9,14-16,26H,10-13H2,1-3H3,(H,27,28,29)
InChIKeyRPWRIUTZTUQYNS-UHFFFAOYSA-N
XLogP4.26
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]ethanesulfonamide
CID 67438066
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 45381799
5-chloro-2-N-(2-methoxy-4-piperidin-4-ylphenyl)-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 130374880
N-[4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyphenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 87120017
7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-5-one;hydrochloride
CID 162169609
5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 86719245
2-[4-[3-methoxy-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]-1-(2-methoxy-N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-piperidin-4-ylanilino)ethanol
CID 118915275
7-amino-8-ethyl-2-(2-methoxy-4-piperidin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 70926185
2-N-[4-(3-azaspiro[5.5]undecan-9-yl)-2-methoxyphenyl]-5-chloro-4-N-(2-methylphosphanylphenyl)pyrimidine-2,4-diamine
CID 129110466
9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-7-methylpurin-8-one
CID 67159329
11-[2-(diethylamino)ethyl]-2-[4-(4-hydroxycyclohexyl)-2-methoxyanilino]-5-methylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 137444612
tert-butyl 4-[4-[[7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-3-propan-2-yloxyphenyl]piperidine-1-carboxylate;2-chloro-7-(2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidine;7-(2-methoxyphenyl)-6-methyl-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 161093133

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine (CID 122648801) is 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine is COc1cc(C2CCNCC2)ccc1Nc1ncc2c(n1)c(-c1ccccc1OC)nn2C.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
The InChIKey is RPWRIUTZTUQYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-31-20-15-27-25(29-24(20)23(30-31)18-6-4-5-7-21(18)32-2)28-19-9-8-17(14-22(19)33-3)16-10-12-26-13-11-16/h4-9,14-16,26H,10-13H2,1-3H3,(H,27,28,29).
What are the key properties of 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine?
3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine has a molecular weight of 444.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 122648801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).