tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate

C26H33N7O2 — CID 163439512

IUPACtert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
SMILESCn1cc(-c2ccc3c(c2)-c2c(ncnc2NCCN2CCN(C(=O)OC(C)(C)C)CC2)C3)cn1
InChIInChI=1S/C26H33N7O2/c1-26(2,3)35-25(34)33-11-9-32(10-12-33)8-7-27-24-23-21-13-18(20-15-30-31(4)16-20)5-6-19(21)14-22(23)28-17-29-24/h5-6,13,15-17H,7-12,14H2,1-4H3,(H,27,28,29)
InChIKeyOSEBMNSGXJXXRJ-UHFFFAOYSA-N
MW475.60 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate (PubChem CID 163439512) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
PubChem CID163439512
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Nametert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
SMILESCn1cc(-c2ccc3c(c2)-c2c(ncnc2NCCN2CCN(C(=O)OC(C)(C)C)CC2)C3)cn1
InChIInChI=1S/C26H33N7O2/c1-26(2,3)35-25(34)33-11-9-32(10-12-33)8-7-27-24-23-21-13-18(20-15-30-31(4)16-20)5-6-19(21)14-22(23)28-17-29-24/h5-6,13,15-17H,7-12,14H2,1-4H3,(H,27,28,29)
InChIKeyOSEBMNSGXJXXRJ-UHFFFAOYSA-N
XLogP3.41
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-[(6-bromo-9H-indeno[2,1-d]pyrimidin-4-yl)amino]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
CID 163973422
tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
CID 153291318
4-N,4-N-dimethyl-1-N-[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 163640585
tert-butyl 4-[2-[(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]piperazine-1-carboxylate
CID 66749627
tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 134512059
tert-butyl 4-[2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]piperazine-1-carboxylate
CID 123919439
tert-butyl 4-[4-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172877641
tert-butyl 4-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxylate
CID 54595637
tert-butyl 3-[7-(1-methylpyrazol-4-yl)-2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl]pyrrolidine-1-carboxylate
CID 175124655
tert-butyl 4-[4-amino-5-methyl-2-(1-methylpyrazol-4-yl)phenyl]piperazine-1-carboxylate
CID 165124623
tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol
CID 163302303
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate (CID 163439512) is tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate is Cn1cc(-c2ccc3c(c2)-c2c(ncnc2NCCN2CCN(C(=O)OC(C)(C)C)CC2)C3)cn1.
What is the InChIKey of tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate?
The InChIKey is OSEBMNSGXJXXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-26(2,3)35-25(34)33-11-9-32(10-12-33)8-7-27-24-23-21-13-18(20-15-30-31(4)16-20)5-6-19(21)14-22(23)28-17-29-24/h5-6,13,15-17H,7-12,14H2,1-4H3,(H,27,28,29).
What are the key properties of tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate has a molecular weight of 475.60 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 163439512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).