bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) — IUPAC name, SMILES, InChIKey & properties

Name: bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)

bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (PubChem CID 160897918) has the molecular formula C94H97F3N32Pt4 and a molecular weight of 2512.34 g/mol. Its IUPAC name is bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

Molecular Properties

Compound Name	bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
PubChem CID	160897918
Molecular Formula	C94H97F3N32Pt4
Molecular Weight	2512.34 g/mol
Exact Mass	2510.71
IUPAC Name	bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
SMILES	CC1(C)CCCc2c1n[n-]c2-c1ccncn1.CC1(C)CCCc2c1n[n-]c2-c1ccncn1.CC12CCC(c3c1n[n-]c3-c1ccncn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccncn1)C2(C)C.Cc1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1cc(-c2[n-]nc3c2CCCC3)ncn1.c1cc(-c2[n-]nc3c2CCCC3)ncn1
InChI	InChI=1S/2C15H17N4.2C13H15N4.2C11H11N4.C8H4F3N4.C8H7N4.4Pt/c21-14(2)9-4-6-15(14,3)13-11(9)12(18-19-13)10-5-7-16-8-17-10;21-13(2)6-3-4-9-11(16-17-12(9)13)10-5-7-14-8-15-10;21-2-4-9-8(3-1)11(15-14-9)10-5-6-12-7-13-10;9-8(10,11)7-3-6(14-15-7)5-1-2-12-4-13-5;1-6-4-8(12-11-6)7-2-3-9-5-10-7;;;;/h25,7-9H,4,6H2,1-3H3;25,7-8H,3-4,6H2,1-2H3;25-7H,1-4H2;1-4H;2-5H,1H3;;;;/q8-1;4+2
InChIKey	SPCRPLMIYBBUIF-UHFFFAOYSA-N
XLogP	14.62
TPSA	422.16 Å²
H-Bond Donors
H-Bond Acceptors	24
Rotatable Bonds	8
Heavy Atoms	133
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2512.34
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Analyze bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The IUPAC name of bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (CID 160897918) is bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

What is the SMILES notation for bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The canonical SMILES for bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is CC1(C)CCCc2c1n[n-]c2-c1ccncn1.CC1(C)CCCc2c1n[n-]c2-c1ccncn1.CC12CCC(c3c1n[n-]c3-c1ccncn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccncn1)C2(C)C.Cc1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1cc(-c2[n-]nc3c2CCCC3)ncn1.c1cc(-c2[n-]nc3c2CCCC3)ncn1.

What is the InChIKey of bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The InChIKey is SPCRPLMIYBBUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17N4.2C13H15N4.2C11H11N4.C8H4F3N4.C8H7N4.4Pt/c2*1-14(2)9-4-6-15(14,3)13-11(9)12(18-19-13)10-5-7-16-8-17-10;2*1-13(2)6-3-4-9-11(16-17-12(9)13)10-5-7-14-8-15-10;2*1-2-4-9-8(3-1)11(15-14-9)10-5-6-12-7-13-10;9-8(10,11)7-3-6(14-15-7)5-1-2-12-4-13-5;1-6-4-8(12-11-6)7-2-3-9-5-10-7;;;;/h2*5,7-9H,4,6H2,1-3H3;2*5,7-8H,3-4,6H2,1-2H3;2*5-7H,1-4H2;1-4H;2-5H,1H3;;;;/q8*-1;4*+2.

What are the key properties of bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

Where does this data come from?

All data for bis(7,7-dimethyl-3-pyrimidin-4-yl-5,6-dihydro-4H-indazol-2-ide);4-(5-methylpyrazol-2-id-3-yl)pyrimidine;tetrakis(platinum(2+));bis(3-pyrimidin-4-yl-4,5,6,7-tetrahydroindazol-2-ide);4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(1,10,10-trimethyl-5-pyrimidin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is sourced from PubChem (CID 160897918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).