bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine

C47H57N13 — CID 158562981

IUPACbis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2ccncc12.CC(C)c1[nH]nc2ncccc12
InChIInChI=1S/2C10H12N2.3C9H11N3/c2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)8-9-7(11-12-8)4-3-5-10-9;1-6(2)8-7-4-3-5-10-9(7)12-11-8/h2*3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12)
InChIKeyHRCRPPYWMFRULH-UHFFFAOYSA-N
MW804.06 g/mol
LogP11.62
Rot. Bonds5

About bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine

bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine (PubChem CID 158562981) has the molecular formula C47H57N13 and a molecular weight of 804.06 g/mol. Its IUPAC name is bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Namebis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine
PubChem CID158562981
Molecular FormulaC47H57N13
Molecular Weight804.06 g/mol
Exact Mass803.49
IUPAC Namebis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2ccncc12.CC(C)c1[nH]nc2ncccc12
InChIInChI=1S/2C10H12N2.3C9H11N3/c2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)8-9-7(11-12-8)4-3-5-10-9;1-6(2)8-7-4-3-5-10-9(7)12-11-8/h2*3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12)
InChIKeyHRCRPPYWMFRULH-UHFFFAOYSA-N
XLogP11.62
TPSA182.07 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.06
LogP ≤ 511.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

ethane;3-propan-2-yl-2H-indazole
CID 167622577
1-(2H-pyrazolo[4,3-c]pyridin-3-yl)ethanol
CID 84651585
5,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 168875580
1-(2H-indazol-3-yl)ethanol
CID 119095207
3-(2H-pyrazolo[4,3-b]pyridin-3-yl)butanoic acid
CID 84673059
methyl 2,3-dihydroxy-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 171864239
ethane;6,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 145351041
6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile
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CID 163437713
CID 163437713
6-chloro-3-propan-2-yl-2H-indazole
CID 118042502
2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84672243
2H-pyrazolo[3,4-b]pyridin-3-amine;hydrochloride
CID 155662054

Frequently Asked Questions

What is the IUPAC name of bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine (CID 158562981) is bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine is CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cccnc12.CC(C)c1[nH]nc2ccncc12.CC(C)c1[nH]nc2ncccc12.
What is the InChIKey of bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is HRCRPPYWMFRULH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12N2.3C9H11N3/c2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)8-9-7(11-12-8)4-3-5-10-9;1-6(2)8-7-4-3-5-10-9(7)12-11-8/h2*3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12).
What are the key properties of bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine?
bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 804.06 g/mol, XLogP of 11.62, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 158562981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).