2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide

C30H33N9O4 — CID 70696371

IUPAC2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cc(-n2cccn2)c2[nH]c3c(-n4cccn4)cc(NC(=O)CN4CCOCC4)cc3c2c1
InChIInChI=1S/C30H33N9O4/c40-27(19-36-7-11-42-12-8-36)33-21-15-23-24-16-22(34-28(41)20-37-9-13-43-14-10-37)18-26(39-6-2-4-32-39)30(24)35-29(23)25(17-21)38-5-1-3-31-38/h1-6,15-18,35H,7-14,19-20H2,(H,33,40)(H,34,41)
InChIKeyCMPBNWQKHHBRFY-UHFFFAOYSA-N
MW583.65 g/mol
LogP2.23
Rot. Bonds8

About 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide

2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide (PubChem CID 70696371) has the molecular formula C30H33N9O4 and a molecular weight of 583.65 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide
PubChem CID70696371
Molecular FormulaC30H33N9O4
Molecular Weight583.65 g/mol
Exact Mass583.27
IUPAC Name2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1cc(-n2cccn2)c2[nH]c3c(-n4cccn4)cc(NC(=O)CN4CCOCC4)cc3c2c1
InChIInChI=1S/C30H33N9O4/c40-27(19-36-7-11-42-12-8-36)33-21-15-23-24-16-22(34-28(41)20-37-9-13-43-14-10-37)18-26(39-6-2-4-32-39)30(24)35-29(23)25(17-21)38-5-1-3-31-38/h1-6,15-18,35H,7-14,19-20H2,(H,33,40)(H,34,41)
InChIKeyCMPBNWQKHHBRFY-UHFFFAOYSA-N
XLogP2.23
TPSA134.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.65
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide (CID 70696371) is 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide is O=C(CN1CCOCC1)Nc1cc(-n2cccn2)c2[nH]c3c(-n4cccn4)cc(NC(=O)CN4CCOCC4)cc3c2c1.
What is the InChIKey of 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide?
The InChIKey is CMPBNWQKHHBRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N9O4/c40-27(19-36-7-11-42-12-8-36)33-21-15-23-24-16-22(34-28(41)20-37-9-13-43-14-10-37)18-26(39-6-2-4-32-39)30(24)35-29(23)25(17-21)38-5-1-3-31-38/h1-6,15-18,35H,7-14,19-20H2,(H,33,40)(H,34,41).
What are the key properties of 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide?
2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide has a molecular weight of 583.65 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]-1,8-di(pyrazol-1-yl)-9H-carbazol-3-yl]acetamide is sourced from PubChem (CID 70696371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).