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

C29H33N7O6S — CID 70154072

IUPACtert-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
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3[nH]nc4c3C(=O)c3c-4cccc3N(C(N)=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C29H33N7O6S/c1-29(2,3)42-28(40)34-11-9-33(10-12-34)26(38)20-8-7-19(43-20)24-22-23(31-32-24)17-5-4-6-18(21(17)25(22)37)36(27(30)39)35-13-15-41-16-14-35/h4-8H,9-16H2,1-3H3,(H2,30,39)(H,31,32)
InChIKeyOBPCAZPCMJBSDQ-UHFFFAOYSA-N
MW607.69 g/mol
LogP3.17
Rot. Bonds4

About 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

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 (PubChem CID 70154072) has the molecular formula C29H33N7O6S and a molecular weight of 607.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID70154072
Molecular FormulaC29H33N7O6S
Molecular Weight607.69 g/mol
Exact Mass607.22
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3[nH]nc4c3C(=O)c3c-4cccc3N(C(N)=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C29H33N7O6S/c1-29(2,3)42-28(40)34-11-9-33(10-12-34)26(38)20-8-7-19(43-20)24-22-23(31-32-24)17-5-4-6-18(21(17)25(22)37)36(27(30)39)35-13-15-41-16-14-35/h4-8H,9-16H2,1-3H3,(H2,30,39)(H,31,32)
InChIKeyOBPCAZPCMJBSDQ-UHFFFAOYSA-N
XLogP3.17
TPSA154.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.69
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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
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
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
CID 134342426
1-[2-(methoxymethyl)pyrrolidin-1-yl]-1-[4-oxo-3-(4-piperazin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 70155421
tert-butyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 55698240
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-morpholin-4-ylmethanone
CID 18105362
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577
tert-butyl 6-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 68578670
tert-butyl 4-[[6-(2-aminophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methyl]piperazine-1-carboxylate;ethane
CID 143409782
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3[nH]nc4c3C(=O)c3c-4cccc3N(C(N)=O)N3CCOCC3)s2)CC1.
What is the InChIKey of 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?
The InChIKey is OBPCAZPCMJBSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O6S/c1-29(2,3)42-28(40)34-11-9-33(10-12-34)26(38)20-8-7-19(43-20)24-22-23(31-32-24)17-5-4-6-18(21(17)25(22)37)36(27(30)39)35-13-15-41-16-14-35/h4-8H,9-16H2,1-3H3,(H2,30,39)(H,31,32).
What are the key properties of 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?
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 has a molecular weight of 607.69 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70154072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).