1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one

C19H26N6O — CID 143075476

IUPAC1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one
SMILES[H]/N=C/C1=C(N)CCN(C(=O)C(Cc2cc(CC)c3[nH]ncc3c2)NC)C1
InChIInChI=1S/C19H26N6O/c1-3-13-6-12(7-14-10-23-24-18(13)14)8-17(22-2)19(26)25-5-4-16(21)15(9-20)11-25/h6-7,9-10,17,20,22H,3-5,8,11,21H2,1-2H3,(H,23,24)/b20-9+
InChIKeyWFYYMFUWYUCUSZ-AWQFTUOYSA-N
MW354.46 g/mol
LogP1.35
Rot. Bonds6

About 1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one

1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one (PubChem CID 143075476) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one
PubChem CID143075476
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one
SMILES[H]/N=C/C1=C(N)CCN(C(=O)C(Cc2cc(CC)c3[nH]ncc3c2)NC)C1
InChIInChI=1S/C19H26N6O/c1-3-13-6-12(7-14-10-23-24-18(13)14)8-17(22-2)19(26)25-5-4-16(21)15(9-20)11-25/h6-7,9-10,17,20,22H,3-5,8,11,21H2,1-2H3,(H,23,24)/b20-9+
InChIKeyWFYYMFUWYUCUSZ-AWQFTUOYSA-N
XLogP1.35
TPSA110.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one (CID 143075476) is 1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one is [H]/N=C/C1=C(N)CCN(C(=O)C(Cc2cc(CC)c3[nH]ncc3c2)NC)C1.
What is the InChIKey of 1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one?
The InChIKey is WFYYMFUWYUCUSZ-AWQFTUOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-3-13-6-12(7-14-10-23-24-18(13)14)8-17(22-2)19(26)25-5-4-16(21)15(9-20)11-25/h6-7,9-10,17,20,22H,3-5,8,11,21H2,1-2H3,(H,23,24)/b20-9+.
What are the key properties of 1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one?
1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one has a molecular weight of 354.46 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)-3-(7-ethyl-1H-indazol-5-yl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 143075476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).