[1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone

C28H32N6O2 — CID 166597104

IUPAC[1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCCCc1nc(Nc2ccc3cn[nH]c3c2)cc(N2CCC(C(=O)c3ccc(OC)c(C)c3)CC2)n1
InChIInChI=1S/C28H32N6O2/c1-4-5-25-31-26(30-22-8-6-21-17-29-33-23(21)15-22)16-27(32-25)34-12-10-19(11-13-34)28(35)20-7-9-24(36-3)18(2)14-20/h6-9,14-17,19H,4-5,10-13H2,1-3H3,(H,29,33)(H,30,31,32)
InChIKeyPCESDTKZXXHIAP-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.47
Rot. Bonds8

About [1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone

[1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone (PubChem CID 166597104) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is [1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone
PubChem CID166597104
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name[1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCCCc1nc(Nc2ccc3cn[nH]c3c2)cc(N2CCC(C(=O)c3ccc(OC)c(C)c3)CC2)n1
InChIInChI=1S/C28H32N6O2/c1-4-5-25-31-26(30-22-8-6-21-17-29-33-23(21)15-22)16-27(32-25)34-12-10-19(11-13-34)28(35)20-7-9-24(36-3)18(2)14-20/h6-9,14-17,19H,4-5,10-13H2,1-3H3,(H,29,33)(H,30,31,32)
InChIKeyPCESDTKZXXHIAP-UHFFFAOYSA-N
XLogP5.47
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
CID 71226501
1-[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 99975814
N-[3-[[6-[4-(4-chlorophenoxy)piperidin-1-yl]-2-propylpyrimidin-4-yl]amino]phenyl]acetamide
CID 166597088
4-(4-methoxy-3-methylbenzoyl)cyclohexan-1-one
CID 116920244
N-(1H-indazol-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768017
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
3,4-dimethoxy-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 50748387
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598
1-[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193628
1-[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193637
2-N-[4-(4-ethylpiperazin-1-yl)-2-methoxyphenyl]-4-N-(1H-indazol-6-yl)-5-methylpyrimidine-2,4-diamine
CID 156704686
7-[2-(4-hydroxypiperidin-1-yl)ethoxy]-4-(1H-indazol-6-ylamino)-6-methoxyquinoline-3-carbonitrile
CID 10161561

Frequently Asked Questions

What is the IUPAC name of [1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of [1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone (CID 166597104) is [1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for [1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for [1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone is CCCc1nc(Nc2ccc3cn[nH]c3c2)cc(N2CCC(C(=O)c3ccc(OC)c(C)c3)CC2)n1.
What is the InChIKey of [1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is PCESDTKZXXHIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-4-5-25-31-26(30-22-8-6-21-17-29-33-23(21)15-22)16-27(32-25)34-12-10-19(11-13-34)28(35)20-7-9-24(36-3)18(2)14-20/h6-9,14-17,19H,4-5,10-13H2,1-3H3,(H,29,33)(H,30,31,32).
What are the key properties of [1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone?
[1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 484.60 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(1H-indazol-6-ylamino)-2-propylpyrimidin-4-yl]piperidin-4-yl]-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 166597104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).