3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide

C32H37N9O4 — CID 70683761

IUPAC3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide
SMILESO=C(CCN1CCOCC1)Nc1cc(-n2cccn2)c2[nH]c3c(-n4cccn4)cc(NC(=O)CCN4CCOCC4)cc3c2c1
InChIInChI=1S/C32H37N9O4/c42-29(3-9-38-11-15-44-16-12-38)35-23-19-25-26-20-24(36-30(43)4-10-39-13-17-45-18-14-39)22-28(41-8-2-6-34-41)32(26)37-31(25)27(21-23)40-7-1-5-33-40/h1-2,5-8,19-22,37H,3-4,9-18H2,(H,35,42)(H,36,43)
InChIKeyZATGIVPYODKKKG-UHFFFAOYSA-N
MW611.71 g/mol
LogP3.01
Rot. Bonds10

About 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide

3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide (PubChem CID 70683761) has the molecular formula C32H37N9O4 and a molecular weight of 611.71 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide
PubChem CID70683761
Molecular FormulaC32H37N9O4
Molecular Weight611.71 g/mol
Exact Mass611.30
IUPAC Name3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide
SMILESO=C(CCN1CCOCC1)Nc1cc(-n2cccn2)c2[nH]c3c(-n4cccn4)cc(NC(=O)CCN4CCOCC4)cc3c2c1
InChIInChI=1S/C32H37N9O4/c42-29(3-9-38-11-15-44-16-12-38)35-23-19-25-26-20-24(36-30(43)4-10-39-13-17-45-18-14-39)22-28(41-8-2-6-34-41)32(26)37-31(25)27(21-23)40-7-1-5-33-40/h1-2,5-8,19-22,37H,3-4,9-18H2,(H,35,42)(H,36,43)
InChIKeyZATGIVPYODKKKG-UHFFFAOYSA-N
XLogP3.01
TPSA134.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.71
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide (CID 70683761) is 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide is O=C(CCN1CCOCC1)Nc1cc(-n2cccn2)c2[nH]c3c(-n4cccn4)cc(NC(=O)CCN4CCOCC4)cc3c2c1.
What is the InChIKey of 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide?
The InChIKey is ZATGIVPYODKKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N9O4/c42-29(3-9-38-11-15-44-16-12-38)35-23-19-25-26-20-24(36-30(43)4-10-39-13-17-45-18-14-39)22-28(41-8-2-6-34-41)32(26)37-31(25)27(21-23)40-7-1-5-33-40/h1-2,5-8,19-22,37H,3-4,9-18H2,(H,35,42)(H,36,43).
What are the key properties of 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide?
3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide has a molecular weight of 611.71 g/mol, XLogP of 3.01, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]propanamide is sourced from PubChem (CID 70683761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).