tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate

C31H41N7O6 — CID 70154387

IUPACtert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(c3[nH]nc4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)CC2)CC1
InChIInChI=1S/C31H41N7O6/c1-31(2,3)44-30(42)37-13-9-20(10-14-37)28(40)36-11-7-19(8-12-36)25-24-26(34-33-25)21-5-4-6-22(23(21)27(24)39)32-29(41)35-38-15-17-43-18-16-38/h4-6,19-20H,7-18H2,1-3H3,(H,33,34)(H2,32,35,41)
InChIKeyMFHPTZCQISKWGM-UHFFFAOYSA-N
MW607.71 g/mol
LogP3.34
Rot. Bonds4

About tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate

tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 70154387) has the molecular formula C31H41N7O6 and a molecular weight of 607.71 g/mol. Its IUPAC name is tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
PubChem CID70154387
Molecular FormulaC31H41N7O6
Molecular Weight607.71 g/mol
Exact Mass607.31
IUPAC Nametert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(c3[nH]nc4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)CC2)CC1
InChIInChI=1S/C31H41N7O6/c1-31(2,3)44-30(42)37-13-9-20(10-14-37)28(40)36-11-7-19(8-12-36)25-24-26(34-33-25)21-5-4-6-22(23(21)27(24)39)32-29(41)35-38-15-17-43-18-16-38/h4-6,19-20H,7-18H2,1-3H3,(H,33,34)(H2,32,35,41)
InChIKeyMFHPTZCQISKWGM-UHFFFAOYSA-N
XLogP3.34
TPSA149.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.71
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[4-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 70155175
1-morpholin-4-yl-3-[4-oxo-3-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 70154952
tert-butyl 4-[(3-chloro-2-morpholin-4-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 24614259
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate
CID 167016405
tert-butyl 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 110629364
tert-butyl 4-[5-[5-[carbamoyl(morpholin-4-yl)amino]-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]thiophene-2-carbonyl]piperazine-1-carboxylate
CID 70154072
tert-butyl 4-(1,3-dihydroisoindole-2-carbonyl)piperidine-1-carboxylate
CID 169094693
tert-butyl 4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylate;ethane
CID 143680712
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]-1,4-diazepane-1-carboxylate
CID 52843125
tert-butyl 4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 66610995
1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 178154076

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate (CID 70154387) is tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(c3[nH]nc4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)CC2)CC1.
What is the InChIKey of tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
The InChIKey is MFHPTZCQISKWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O6/c1-31(2,3)44-30(42)37-13-9-20(10-14-37)28(40)36-11-7-19(8-12-36)25-24-26(34-33-25)21-5-4-6-22(23(21)27(24)39)32-29(41)35-38-15-17-43-18-16-38/h4-6,19-20H,7-18H2,1-3H3,(H,33,34)(H2,32,35,41).
What are the key properties of tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate?
tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 607.71 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 70154387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).