(2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide

C22H21N7O2 — CID 156708717

IUPAC(2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide
SMILESN/N=C(\C=N\Cc1cn2cc(C3CC3)ccc2n1)C(=O)NCc1cc2occc2cn1
InChIInChI=1S/C22H21N7O2/c23-28-19(22(30)26-10-17-7-20-15(8-25-17)5-6-31-20)11-24-9-18-13-29-12-16(14-1-2-14)3-4-21(29)27-18/h3-8,11-14H,1-2,9-10,23H2,(H,26,30)/b24-11+,28-19+
InChIKeyOFKDBTBALNEOAE-XXZBRMJPSA-N
MW415.46 g/mol
LogP2.55
Rot. Bonds7

About (2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide

(2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide (PubChem CID 156708717) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is (2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide.

Molecular Properties

Compound Name(2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide
PubChem CID156708717
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name(2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide
SMILESN/N=C(\C=N\Cc1cn2cc(C3CC3)ccc2n1)C(=O)NCc1cc2occc2cn1
InChIInChI=1S/C22H21N7O2/c23-28-19(22(30)26-10-17-7-20-15(8-25-17)5-6-31-20)11-24-9-18-13-29-12-16(14-1-2-14)3-4-21(29)27-18/h3-8,11-14H,1-2,9-10,23H2,(H,26,30)/b24-11+,28-19+
InChIKeyOFKDBTBALNEOAE-XXZBRMJPSA-N
XLogP2.55
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide?
The IUPAC name of (2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide (CID 156708717) is (2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide.
What is the SMILES notation for (2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide?
The canonical SMILES for (2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide is N/N=C(\C=N\Cc1cn2cc(C3CC3)ccc2n1)C(=O)NCc1cc2occc2cn1.
What is the InChIKey of (2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide?
The InChIKey is OFKDBTBALNEOAE-XXZBRMJPSA-N. The full InChI is InChI=1S/C22H21N7O2/c23-28-19(22(30)26-10-17-7-20-15(8-25-17)5-6-31-20)11-24-9-18-13-29-12-16(14-1-2-14)3-4-21(29)27-18/h3-8,11-14H,1-2,9-10,23H2,(H,26,30)/b24-11+,28-19+.
What are the key properties of (2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide?
(2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide has a molecular weight of 415.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylimino]-N-(furo[3,2-c]pyridin-6-ylmethyl)-2-hydrazinylidenepropanamide is sourced from PubChem (CID 156708717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).