(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

C33H45N7O2 — CID 177353166

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
SMILES[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/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/h10-11,13-14,18-20,32,34,37H,2,7-9,12,15-17,21,35H2,1,3-6H3/b24-20-,25-19+,30-10+,34-28-,36-14+
InChIKeyNVSBVGKZWHHUJO-ZRFZAUIHSA-N
MW571.77 g/mol
LogP3.66
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

(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 (PubChem CID 177353166) has the molecular formula C33H45N7O2 and a molecular weight of 571.77 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.

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
PubChem CID177353166
Molecular FormulaC33H45N7O2
Molecular Weight571.77 g/mol
Exact Mass571.36
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
SMILES[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/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/h10-11,13-14,18-20,32,34,37H,2,7-9,12,15-17,21,35H2,1,3-6H3/b24-20-,25-19+,30-10+,34-28-,36-14+
InChIKeyNVSBVGKZWHHUJO-ZRFZAUIHSA-N
XLogP3.66
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.77
LogP ≤ 53.66
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 with MolForge

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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?
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 (CID 177353166) 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.
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?
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 is [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?
The InChIKey is NVSBVGKZWHHUJO-ZRFZAUIHSA-N. The full InChI is InChI=1S/C33H45N7O2/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/h10-11,13-14,18-20,32,34,37H,2,7-9,12,15-17,21,35H2,1,3-6H3/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?
(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 has a molecular weight of 571.77 g/mol, XLogP of 3.66, 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 is sourced from PubChem (CID 177353166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).