[4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone

C24H30N8O2 — CID 165148106

IUPAC[4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc(N)c1C1=CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C24H30N8O2/c1-31-7-9-32(10-8-31)24(33)16-5-3-15(4-6-16)21-22(25)26-14-27-23(21)29-19-11-17-13-28-30-18(17)12-20(19)34-2/h3,11-14,16H,4-10H2,1-2H3,(H,28,30)(H3,25,26,27,29)
InChIKeyFQLDMFJLDGJRDO-UHFFFAOYSA-N
MW462.56 g/mol
LogP2.64
Rot. Bonds5

About [4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone

[4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 165148106) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is [4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID165148106
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name[4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc(N)c1C1=CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C24H30N8O2/c1-31-7-9-32(10-8-31)24(33)16-5-3-15(4-6-16)21-22(25)26-14-27-23(21)29-19-11-17-13-28-30-18(17)12-20(19)34-2/h3,11-14,16H,4-10H2,1-2H3,(H,28,30)(H3,25,26,27,29)
InChIKeyFQLDMFJLDGJRDO-UHFFFAOYSA-N
XLogP2.64
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[4-[4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 167585872
[4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-piperidin-1-ylmethanone
CID 118060691
[(7S)-4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-thiomorpholin-4-ylmethanone
CID 118095958
[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[(7S)-4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanone
CID 118096388
4-N-cyclopropyl-6-N-(6-methoxy-1H-indazol-5-yl)-5-methylpyrimidine-4,6-diamine
CID 175369244
[(7S)-4-[(6-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-(4-methylpiperazin-1-yl)methanone
CID 87056932
3-azabicyclo[3.1.0]hexan-3-yl-[(7S)-4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanone
CID 118096380
5-methanimidoyl-4-N-(6-methoxy-1H-indazol-5-yl)pyrimidine-4,6-diamine
CID 153159221
[4-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone
CID 90031633
4-[4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-ene-1-carboxylic acid;[4-[4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone;4-[4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-5-yl]-N,N-dimethylcyclohex-3-ene-1-carboxamide;1-[4-amino-6-[(6-methoxy-1H-isoindol-5-yl)amino]pyrimidin-5-yl]ethanone;tert-butyl 5-[(5-acetyl-6-aminopyrimidin-4-yl)amino]-6-methoxyindazole-1-carboxylate;4-N-cyclopropyl-6-N-(6-methoxy-1H-isoindol-5-yl)pyrimidine-4,6-diamine;formic acid;4-N-(6-methoxy-1H-isoindol-5-yl)-6-N-methylpyrimidine-4,6-diamine;hydrochloride
CID 167652859
5-[[(7S)-7-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
CID 136981947
6-chloro-5-methylpyrimidin-4-amine;N-(6-chloro-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;bis(N-[6-[(6-methoxy-1H-indazol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide);N-[6-[(6-methoxy-1H-isoindol-5-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
CID 167601707

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 165148106) is [4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone is COc1cc2[nH]ncc2cc1Nc1ncnc(N)c1C1=CCC(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of [4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FQLDMFJLDGJRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-31-7-9-32(10-8-31)24(33)16-5-3-15(4-6-16)21-22(25)26-14-27-23(21)29-19-11-17-13-28-30-18(17)12-20(19)34-2/h3,11-14,16H,4-10H2,1-2H3,(H,28,30)(H3,25,26,27,29).
What are the key properties of [4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 462.56 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-6-[(6-methoxy-1H-indazol-5-yl)amino]pyrimidin-5-yl]cyclohex-3-en-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 165148106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).