(Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane

C37H57N7O2 — CID 177353165

IUPAC(Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane
SMILESCC.CC.[H]/N=C(/C=C(/C)C(N)C1=CCN(C/C(=C/C(=C)/C(=C\C=N\C)N2C=CC3=C(CCN3)C2=C=O)CCC)CC1)C(=O)N(C)C
InChIInChI=1S/C33H45N7O2.2C2H6/c1-7-8-25(21-39-16-11-26(12-17-39)32(35)24(3)20-28(34)33(42)38(5)6)19-23(2)30(10-14-36-4)40-18-13-29-27(9-15-37-29)31(40)22-41;2*1-2/h10-11,13-14,18-20,32,34,37H,2,7-9,12,15-17,21,35H2,1,3-6H3;2*1-2H3/b24-20-,25-19+,30-10+,34-28-,36-14+;;
InChIKeyMKJRVLYRJNSLLF-MNTPYONASA-N
MW631.91 g/mol
LogP5.71
Rot. Bonds12

About (Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane

(Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane (PubChem CID 177353165) has the molecular formula C37H57N7O2 and a molecular weight of 631.91 g/mol. Its IUPAC name is (Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane.

Molecular Properties

Compound Name(Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane
PubChem CID177353165
Molecular FormulaC37H57N7O2
Molecular Weight631.91 g/mol
Exact Mass631.46
IUPAC Name(Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane
SMILESCC.CC.[H]/N=C(/C=C(/C)C(N)C1=CCN(C/C(=C/C(=C)/C(=C\C=N\C)N2C=CC3=C(CCN3)C2=C=O)CCC)CC1)C(=O)N(C)C
InChIInChI=1S/C33H45N7O2.2C2H6/c1-7-8-25(21-39-16-11-26(12-17-39)32(35)24(3)20-28(34)33(42)38(5)6)19-23(2)30(10-14-36-4)40-18-13-29-27(9-15-37-29)31(40)22-41;2*1-2/h10-11,13-14,18-20,32,34,37H,2,7-9,12,15-17,21,35H2,1,3-6H3;2*1-2H3/b24-20-,25-19+,30-10+,34-28-,36-14+;;
InChIKeyMKJRVLYRJNSLLF-MNTPYONASA-N
XLogP5.71
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.91
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane with MolForge

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Launch Full Analysis

Related Compounds

N-[(1Z,3E,5Z,7E)-8-methyl-3-(methylamino)-6-methylidene-5-(2-methyliminoethylidene)-9-(2-methylpiperidin-1-yl)nona-1,3,7-trienyl]acetamide
CID 177353064
(Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide
CID 177353166

Frequently Asked Questions

What is the IUPAC name of (Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane?
The IUPAC name of (Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane (CID 177353165) is (Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane.
What is the SMILES notation for (Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane?
The canonical SMILES for (Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane is CC.CC.[H]/N=C(/C=C(/C)C(N)C1=CCN(C/C(=C/C(=C)/C(=C\C=N\C)N2C=CC3=C(CCN3)C2=C=O)CCC)CC1)C(=O)N(C)C.
What is the InChIKey of (Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane?
The InChIKey is MKJRVLYRJNSLLF-MNTPYONASA-N. The full InChI is InChI=1S/C33H45N7O2.2C2H6/c1-7-8-25(21-39-16-11-26(12-17-39)32(35)24(3)20-28(34)33(42)38(5)6)19-23(2)30(10-14-36-4)40-18-13-29-27(9-15-37-29)31(40)22-41;2*1-2/h10-11,13-14,18-20,32,34,37H,2,7-9,12,15-17,21,35H2,1,3-6H3;2*1-2H3/b24-20-,25-19+,30-10+,34-28-,36-14+;;.
What are the key properties of (Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane?
(Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane has a molecular weight of 631.91 g/mol, XLogP of 5.71, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-2-imino-N,N,4-trimethyl-5-[1-[(2E,5E)-4-methylidene-7-methylimino-5-[4-(oxomethylidene)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-5-yl]-2-propylhepta-2,5-dienyl]-3,6-dihydro-2H-pyridin-4-yl]pent-3-enamide;ethane is sourced from PubChem (CID 177353165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).