tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate

C24H31N7O3 — CID 67975453

IUPACtert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nc(C(N)=O)c3ccc4cnc(N5CCCC5)nc4c32)CC1
InChIInChI=1S/C24H31N7O3/c1-24(2,3)34-23(33)30-12-8-16(9-13-30)31-20-17(19(28-31)21(25)32)7-6-15-14-26-22(27-18(15)20)29-10-4-5-11-29/h6-7,14,16H,4-5,8-13H2,1-3H3,(H2,25,32)
InChIKeyDOTUESCTWPPNEO-UHFFFAOYSA-N
MW465.56 g/mol
LogP3.25
Rot. Bonds3

About tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate

tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate (PubChem CID 67975453) has the molecular formula C24H31N7O3 and a molecular weight of 465.56 g/mol. Its IUPAC name is tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate
PubChem CID67975453
Molecular FormulaC24H31N7O3
Molecular Weight465.56 g/mol
Exact Mass465.25
IUPAC Nametert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nc(C(N)=O)c3ccc4cnc(N5CCCC5)nc4c32)CC1
InChIInChI=1S/C24H31N7O3/c1-24(2,3)34-23(33)30-12-8-16(9-13-30)31-20-17(19(28-31)21(25)32)7-6-15-14-26-22(27-18(15)20)29-10-4-5-11-29/h6-7,14,16H,4-5,8-13H2,1-3H3,(H2,25,32)
InChIKeyDOTUESCTWPPNEO-UHFFFAOYSA-N
XLogP3.25
TPSA119.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(3-carbamoyl-8-methoxypyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate
CID 67975749
tert-butyl 4-(3-carbamoyl-8-phenylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate
CID 67975533
1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-8-phenylpyrazolo[4,5-h]quinazoline-3-carboxamide
CID 123593472
tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate
CID 175283411
tert-butyl 4-(5-aminopyrimidin-2-yl)-1,4-diazepane-1-carboxylate
CID 114518320
tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate
CID 18969335
tert-butyl 4-(6-chloropyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 163560176
tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24959968
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
CID 59464319
tert-butyl 4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230393
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097
tert-butyl 2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 46261777

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate (CID 67975453) is tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2nc(C(N)=O)c3ccc4cnc(N5CCCC5)nc4c32)CC1.
What is the InChIKey of tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate?
The InChIKey is DOTUESCTWPPNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3/c1-24(2,3)34-23(33)30-12-8-16(9-13-30)31-20-17(19(28-31)21(25)32)7-6-15-14-26-22(27-18(15)20)29-10-4-5-11-29/h6-7,14,16H,4-5,8-13H2,1-3H3,(H2,25,32).
What are the key properties of tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate has a molecular weight of 465.56 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67975453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).