tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate

C33H39N7O6 — CID 70156256

IUPACtert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(C3=C4C(=O)c5c(NC(=O)NN6CCOCC6)cccc5C4N=N3)CC2)cc1
InChIInChI=1S/C33H39N7O6/c1-33(2,3)46-32(44)34-22-9-7-20(8-10-22)19-25(41)39-13-11-21(12-14-39)28-27-29(37-36-28)23-5-4-6-24(26(23)30(27)42)35-31(43)38-40-15-17-45-18-16-40/h4-10,21,29H,11-19H2,1-3H3,(H,34,44)(H2,35,38,43)
InChIKeyQVZCFEQCQVUFOI-UHFFFAOYSA-N
MW629.72 g/mol
LogP4.84
Rot. Bonds6

About tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate

tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate (PubChem CID 70156256) has the molecular formula C33H39N7O6 and a molecular weight of 629.72 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate
PubChem CID70156256
Molecular FormulaC33H39N7O6
Molecular Weight629.72 g/mol
Exact Mass629.30
IUPAC Nametert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(C3=C4C(=O)c5c(NC(=O)NN6CCOCC6)cccc5C4N=N3)CC2)cc1
InChIInChI=1S/C33H39N7O6/c1-33(2,3)46-32(44)34-22-9-7-20(8-10-22)19-25(41)39-13-11-21(12-14-39)28-27-29(37-36-28)23-5-4-6-24(26(23)30(27)42)35-31(43)38-40-15-17-45-18-16-40/h4-10,21,29H,11-19H2,1-3H3,(H,34,44)(H2,35,38,43)
InChIKeyQVZCFEQCQVUFOI-UHFFFAOYSA-N
XLogP4.84
TPSA154.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.72
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate (CID 70156256) is tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(C3=C4C(=O)c5c(NC(=O)NN6CCOCC6)cccc5C4N=N3)CC2)cc1.
What is the InChIKey of tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
The InChIKey is QVZCFEQCQVUFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N7O6/c1-33(2,3)46-32(44)34-22-9-7-20(8-10-22)19-25(41)39-13-11-21(12-14-39)28-27-29(37-36-28)23-5-4-6-24(26(23)30(27)42)35-31(43)38-40-15-17-45-18-16-40/h4-10,21,29H,11-19H2,1-3H3,(H,34,44)(H2,35,38,43).
What are the key properties of tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate has a molecular weight of 629.72 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 70156256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).