N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

C30H38N6O3 — CID 86268470

IUPACN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(C5CCOCC5)c4)cc32)c1C
InChIInChI=1S/C30H38N6O3/c1-5-35(6-2)12-11-31-30(38)28-19(3)27(33-20(28)4)16-25-24-15-21(7-8-26(24)34-29(25)37)22-17-32-36(18-22)23-9-13-39-14-10-23/h7-8,15-18,23,33H,5-6,9-14H2,1-4H3,(H,31,38)(H,34,37)/b25-16-
InChIKeyPVFJPKMFIOGIEC-XYGWBWBKSA-N
MW530.67 g/mol
LogP4.41
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 86268470) has the molecular formula C30H38N6O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
PubChem CID86268470
Molecular FormulaC30H38N6O3
Molecular Weight530.67 g/mol
Exact Mass530.30
IUPAC NameN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(C5CCOCC5)c4)cc32)c1C
InChIInChI=1S/C30H38N6O3/c1-5-35(6-2)12-11-31-30(38)28-19(3)27(33-20(28)4)16-25-24-15-21(7-8-26(24)34-29(25)37)22-17-32-36(18-22)23-9-13-39-14-10-23/h7-8,15-18,23,33H,5-6,9-14H2,1-4H3,(H,31,38)(H,34,37)/b25-16-
InChIKeyPVFJPKMFIOGIEC-XYGWBWBKSA-N
XLogP4.41
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (CID 86268470) is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(C5CCOCC5)c4)cc32)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is PVFJPKMFIOGIEC-XYGWBWBKSA-N. The full InChI is InChI=1S/C30H38N6O3/c1-5-35(6-2)12-11-31-30(38)28-19(3)27(33-20(28)4)16-25-24-15-21(7-8-26(24)34-29(25)37)22-17-32-36(18-22)23-9-13-39-14-10-23/h7-8,15-18,23,33H,5-6,9-14H2,1-4H3,(H,31,38)(H,34,37)/b25-16-.
What are the key properties of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 530.67 g/mol, XLogP of 4.41, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 86268470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).